Sistema de cristalografía química de sobremesa

Para la determinación en 3D de la estructura molecular de molécula pequeña

XtaLAB mini™ II

Determinación sobremesa de la estructura de molécula pequeña

El sistema de cristalografía de rayos X de sobremesa, Rigaku XtaLAB mini II, es un difractómetro compacto de rayos X de monocristal diseñado para producir estructuras 3D con calidad de publicación. Es el complemento perfecto para cualquier laboratorio de química sintética. El XtaLAB mini II mejorará la productividad de la investigación, ofreciendo la capacidad de un análisis de la estructura económico y sin la necesidad de depender de una facilidad. Con el XtaLAB Mini II, usted ya no tiene que esperar por su turno para determinar sus estructuras; sino que su grupo de investigación puede analizar rápidamente nuevos compuestos, a medida que se sintetizan en el laboratorio.

Enseñe la difracción a través de la experiencia práctica

En muchas universidades, el difractómetro de rayos X se considera fuera del alcance de los estudiantes debido al temor de daños al instrumento por los usuarios sin experiencia. El XtaLAB mini II le ofrece la oportunidad a los estudiantes de aprender el análisis de monocristal utilizando realmente un difractómetro. Este no es un instrumento caja negra. Más bien, el importante paso de montaje de un cristal en el goniómetro y su centreo físico en la posición del haz de rayos X, asegura que los estudiantes aprenden la importancia de las técnicas de montaje y de la selección de cristal. El diseño sencillo de XtaLAB Mini II reduce al mínimo el peligro de daños al sistema a manos de los estudiantes.

Su tamaño compacto no significa una disminución en la calidad de los datos.

El Rigaku XtaLAB mini II es un instrumento de cristalografía química de grado de investigación que se coloca sobre la mesa de trabajo. Sin compromisos en la calidad de datos, sin extender los tiempos de recolección. Los resultados son entregados sin ambigüedades. El tiempo de vida del tubo de rayos X se extiende mediante su funcionamiento a 600 W. Para compensar su funcionando a una baja potencia, una óptica SHINE (monocromador curvado especial) se utiliza para producir flujo de rayos X utilizable, comparable a un sistema de rayos X estándar.

Especialmente para la producción de estructuras de calidad de publicación.

El requisito principal de diseño cuando se creó el XtaLAB mini II, fue que las estructuras producidas podrían ser publicables en las revistas científicas más exigentes. El detector de HPC se coloca de modo que el valor máximo 2θ está fuera de los requisitos del Acta Cryst. El software proporciona todas las herramientas que usted necesita para generar datos de calidad de publicación que se pueden utilizar para determinar las estructuras 3D de una variedad de paquetes de análisis de la estructura.

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Features

  • Diseño asequible y con bajos costos de operación
  • Requiere de un mínimo entrenamiento y soporte
  • Software automático de solución de la estructura
  • Proporciona información estructural definitiva
  • Complemento ideal para un espectrómetro de NMR
  • Perfecto instrumento de laboratorio de autoservicio
  • Instrumento ideal para la enseñanza
  • Resultados con calidad de publicación
  • Detector de HPC refrigerado por aire
  • No se requiere de una infraestructura especial (110 VAC)
  • Criosistema opcional disponible

Especificaciones de XtaLAB mini™ II

Un sistema de cristalografía de rayos X de sobremesa con todas las funciones

  • Diseño resistente y simple
  • Software intuitivo, ideal para apoyar a los usuarios no expertos
  • Lo último en tecnología de Contador Híbrido de Fotones
  • Calidad excepcional de datos, las estructuras listas para publicar superaran las normas de publicación IUCr

Instálelo en cualquier lugar
  • Requiere de potencia estándar AC - en cualquier parte del mundo
  • Ocupa muy poco espacio: 560 mm (ancho) x 395 mm (profundo) x 674 mm (alto) y ~ 100 kg de peso
  • Diseño extremadamente seguro - no hay posibilidad de exposición accidental o bloqueo del obturador vinculado a la puerta del recinto.
Accesible a todos
  • El modo automático permite todos los pasos para la recopilación de datos para un informe completo de la estructura de una sola fórmula química introducida.
  • Determinación automática inteligente de grupo de espacio
  • Manejo completo de duplicaciones disponibles
  • Corrección de absorción numérica disponibles
Excepcional calidad de datos
  • Nueva óptica SHINE- de calidad y recolección de datos comparables al sistema convencional con 1/4 de consumo de potencia (600 W)
  • Nuevo detector HPC, recientemente desarrollado para XtaLAB mini II
  • Dispositivo de baja temperatura compatible y disponible

XtaLAB mini™ accessories

Oxford Cryostream 800

Whether 800 series, Plus or Compact, all Cryostream systems have the same unique mode of operation, allowing the systems to offer fast cool-down, high stability, low LN2 consumption and superior laminar flow. The new quiet pump is responsible for the gas flow from an unpressurised Dewar, through a flexible vacuum insulated transfer line, into the Cryostream coldhead. Once inside the coldhead, the liquid nitrogen passes through a heater, which evaporates most of the liquid into gas. This gas then flows outward along one path of the heat exchanger, through the temperature controller, to arrive at the pump at approximately 10 Kelvin below room temperature.

The flow rate of the gas from the pump is regulated by a variable flow controller. This gas flows back into the Cryostream coldhead where it is re-cooled along the second path of the heat exchanger.The gas temperature is regulated by a heater and sensor before entering the nozzle of the Cryostream, flowing along the isothermal nozzle and out over the sample.The temperature indicated on the Controller is a mapped temperature for the crystal position.

The default Cryostream gas flow rate is 5 L /minute, which equates to roughly 0.6 L of liquid nitrogen per hour.This means that a 60 litre Dewar will last for up to 4 days so can easily be run over a weekend without refilling. Turbo mode gives an increased flow rate of 10 L/minute if required.

Cryostream features
  • Best available temperature range of 80- 400 Kelvin as standard or 80-500 Kelvin in Plus model
  • Oxford Cryosystems superior laminar gas flow system; means significantly less icing than alternative systems
  • Proven stability in excess of 0.1 Kelvin
  • On-line and local data logging, monitoring and control
  • Fast cool-down to 100 Kelvin in just 20 minutes
  • Low & constant LN2 consumption means a 60 litre dewar can last up to 4 days*
  • Highly accurate mapping of temperature at crystal position
  • *At temperatures greater than 90 Kelvin, LN2 consumption may increase to 1.2 L/hour

CrysAlisPro v40

Now with full 64 bit compatibility!

Rigaku Oxford Diffraction single crystal X-ray diffractometers come complete with CrysAlisPro, our user-inspired data collection and data processing software for small molecule and protein crystallography. Designed around an easy-to-use graphical user interface, CrysAlisPro can be operated under fully automatic, semi-automatic or manual control.

CrysAlisPro logo

The latest release, CrysAlisPro v.40, is now fully 64 bit compatible and ready for the future. As modern diffractometers increase in performance and speed, your experiments generate bigger and bigger images and datasets. Additionally, supporting large detectors with very high pixel counts, such as those more commonly found at synchrotrons, requires large amounts of memory. Moving to 64 bit gives applications access to more memory, enabling the handling of these very large image sizes and data sets.

Expanded support for older Rigaku instrumentation and third party hardware is also in this release.

See below for other new software features that have recently been introduced.

How to get CrysAlisPro

The software is freely available for users of Rigaku Oxford Diffraction single crystal X-ray instruments and can be downloaded from our forum. Please register at http://www.rigakuxrayforum.com. Any queries related to the software may be answered on the forum.

CrysAlisPro: Seamless from start to finish

CrysAlisPro combines automated crystal screening, the fastest and most accurate strategy software available, concurrent data reduction and automatic small molecule structure solution. Visual feedback is provided for each step with clear, color-coded guidance so that both novices and experts can collect high-quality data in the shortest time possible.

CrysAlisPro is built on a command line interface and the GUI retains full manual control options for those that want them. It is your choice how to analyse your data.

CrysAlisPro processes data using sophisticated algorithms to provide the highest quality data. As technology or approaches change, our software team incorporates these to further advance data analysis and processing.

CrysAlisPro screen
Processing of challenging and non-standard data collections

CrysAlisPro Ewald3D

CrysAlisPro contains a comprehensive and highly effective range of tools for tackling a wide range of samples from easy to challenging, and non-standard crystal samples. For example, EwaldExplorer and Ewald 3D (NEW!) easily identify effects, problems or artifacts in difficult or problematic datasets.

Ewald3D allows visualization of measured reciprocal space in 3-dimensions and in an undistorted way. Identifying diffuse scatter, modulation, subtle twinning, or incorrect instrument models is quick and easy with this brand new feature.

Supporting a range of crystallographic setups and applications

In addition to standard data collection routines, CrysAlisPro contains tools for working with non-standard experimental setups and sample types, including:

  • High pressure data collections
  • Variable temperature and multi-wavelength experiments
  • Powder experiments (data collection and processing)
  • Automatic screening or full data collections of several in situ protein crystals
  • Highly absorbing samples
  • Up to 8-fold twinned samples
  • Charge density measurements
  • Absolute structure determination
Software Compatibility

Exporting frames or data from CrysAlisPro into suitable alternative formats such as mosFLM, XDS, Denzo (HKL 2000) or another Esperanto format is easily achieved. Use CrysAlisPro’s data collection strategy to achieve the best data coverage in the quickest possible time and then automatically output into HKLF format for small molecule datasets or into the MTZ format for protein datasets.

CrysAlisPro is used by numerous research groups to process their synchrotron data. Our software is capable of importing data from several different detector types; known or unknown.


AutoChem

AutoChem is the ultimate productivity tool for small molecule chemists, offering fast, fully automatic structure solution and refinement during data collection. Developed in collaboration with OlexSys Ltd (Durham University, UK), AutoChem works in conjunction with Olex2 where more advanced structure solution and refinement functionality exists. AutoChem is seamlessly integrated within CrysAlisPro, and forms an integral part of our ‘What is this?’ feature.

The ‘What is this?’ feature gives you structures in seconds and ensures you are not wasting time collecting full datasets on known samples or starting materials. It is an alternative pre-experiment option, which is used to plan your full data collections.

CrysAlisPro flow

Videos for the XtaLAB mini II X-ray diffractometer

Below are links to videos about the XtaLAB mini II single crystal X-ray diffractometer. The videos show the technology behind this benchtop single crystal X-ray diffractometer; how it is used in a University setting for teaching X-ray crystallography, and finally a guide to mounting your sample onto the X-ray diffractometer.

XtaLAB mini™ single crystal X-ray diffractometer applications

Fast complete structure

Molecule

 

Sample 4-aminobenzenesulfonamide
Formula C6H8N2O2S
Formula weight 172.20
Sample size 0.40 × 0.32 × 0.28 mm
Space group P21/c
Lattice constants a = 8.9963(6) Å
b = 9.013(5) Å
c = 10.053(6) Å
β = 111.529(8)°
V = 757.9(8) ų

Z = 4
Measurement time 2 hours 7 minutes
Rmerge 2.45 %
R1 3.21 %
For many applications: inorganic and organic materials

Molecule

 

Sample Potassium tetrachloroplatinate (II)
Formula K2PtCl4
Formula weight 610.19
Sample size 0.18 × 0.18 × 0.18 mm
Space group P4/mmm
Lattice constants a = 6.995(10) Å
c = 4.131(6) Å
V = 202.1(5) ų
Z = 16

Measurement time

1 hour 27 minutes

Rmerge

2.91 %
R1 1.731 %
Suitable for short and long unit cell axes

Molecule

 

Sample Raffinose
Formula C18H32O16·5H2O
Formula weight 594.52
Sample size 0.25 × 0.13 × 0.12 mm
Space group P212121
Lattice constants a = 8.99700(6) Å
b = 12.3300(9) Å
c = 23.8100(17) Å
V = 2633.4(3) ų
Z = 4
Measurement time 5 hours 30 minutes
Rmerge 6.74 %
R1 4.29 %

XtaLAB mini single crystal X-ray diffractometer publications

  1. Venkatesha R. Hathwar, Tejender S. Thakur, Tayur N. Guru Row, and Gautam R. Desiraju. "Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering." 2011, Cryst. Growth Des., 11 (2), pp. 616–623.
  2. Ritesh Dubey and Gautam R. Desiraju. Exploring the Crystal Structure Landscape with a Heterosynthon Module: Fluorobenzoic Acid:1,2-Bis(4-pyridyl)ethylene 2:1 Cocrystals." 2015,
    Cryst. Growth Des., 15(1), pp. 489–496.
  3. Arijit Mukherjee and Gautam R. Desiraju. "Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol." 2011, Cryst. Growth Des., 11(9), pp. 3735–3739.
  4. Srinu Tothadi, Palash Sanphui, and Gautam R. Desiraju. "Obtaining Synthon Modularity in Ternary Cocrystals with Hydrogen Bonds and Halogen Bonds." 2014, Cryst. Growth Des., 14(10), pp. 5293–5302.
  5. Srinu Tothadi, Sumy Joseph, and Gautam R. Desiraju. "Synthon Modularity in Cocrystals of 4-Bromobenzamide with n-Alkanedicarboxylic Acids: Type I and Type II Halogen···Halogen Interactions." 2013, Cryst. Growth Des., 13(7), pp. 3242–3254.
  6. Srinu Tothadi and Gautam R. Desiraju. "Synthon Modularity in 4-Hydroxybenzamide–Dicarboxylic Acid Cocrystals." 2012, Cryst. Growth Des., 12(12), pp. 6188–6198.
  7. Srinu Tothadi and Gautam R. Desiraju. "Designing ternary cocrystals with hydrogen bonds and halogen bonds." 2013, Chem. Commun., 49, pp. 7791-7793.
  8. Arijit Mukherjee and Gautam R. Desiraju. "Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals." 2014, Cryst. Growth Des., 14(3), pp. 1375–1385.
  9. Yutaka Ishida and Hiroyuki Kawaguchi. "Methylene-Linked Anilide—Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation." 2014, Inorg. Chem., 53(13), pp. 6775–6787.
  10. Yutaka Ishida and Hiroyuki Kawaguchi. Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide." 2014, J. Am. Chem. Soc., 136(49), pp. 16990–16993.
  11. A. Mukherjee, K. Dixit, S. P. Sarma and G. R. Desiraju. "Aniline-phenol recognition: from solution through supramolecular synthons to cocrystals." 2014, IUCrJ, 1, pp. 228-239.
  12. A. Mukherjee and G. R. Desiraju. "Halogen bonds in some dihalogenated phenols: applications to crystal engineering." 2014, IUCrJ, 1, pp. 49-60.
  13. D. E. Janzen, A. M. Kooyman and K. A. Lange. "Crystal structures of bis[2-(di-phenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphan-yl]phenyl} ether." 2014, Acta Cryst., E70, pp. 536-540.
  14. Eagle, C. T., Kpogo, K. K., Zink, L. C. and Smith, A. E. "Tetrakis[ -N-(2,4,6-trimethylphenyl)acetamidato]-κ4N:O;κ4O:N-bis[(benzonitrile-κN)rhodium(II)](Rh-Rh)." 2012, Acta Cryst., E68, m877.
  15. Whited, M. T., Bakker-Arkema, J. G., Greenwald, J. E., Morrill, L. A. and Janzen, D.
    E."trans-Acetyldicarbonyl(η5-cyclopentadienyl)[tris(furan-2-yl)phosphane-κP] molybdenum(II)." 2013, Acta Cryst., E69, m475-m476.
  16. Whited, M. T., Boerma, J. W., McClellan, M. J., Padilla, C. E. ans Janzen, D. E.
    "trans-Acetyldicarbonyl(η5-cyclopentadienyl)(methyldiphenylphosphane) molybdenum(II)." 2012, Acta Cryst., E68, m1158-m1159.
  17. Whited, M. T., Hofmeister, G. E., Hodges, C. J., Jensen, L. T., Keyes, S. H., Ngamnithiporn, A. and Janzen, D. E. "Crystal structures of
    trans-acetyldicarbonyl(η5-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and
    trans-acetyl-dicarbonyl(η5-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II)." 2014, Acta Cryst., E70, 216-220.
  18. Sanphui, P. and Rajput, L. "Tuning solubility and stability of hydrochlorothiazide co-crystals." 2014, Acta Cryst., B70, 81-90.
  19. Eagle, C. T., Quarshie, F., Ketron, M. E. and Atem-Tambe, N. "cis-Tetrakis(μ-N-phenylacetamidato)-κ4N:O;κ4O:N-bis[(benzonitrile-κN)rhodium(II)](Rh-Rh)." 2013, Acta Cryst., E69, m329.
  20. Janzen, D. E., Crepeau, L. E., Hageseth, B. D. and Wollack, J. W. "Bis(2-nitrophen-yl)methane." 2014, Acta Cryst., E70, o859.
  21. Eagle, C. T., Atem-Tambe, N., Kpogo, K. K., Tan, J. and Quarshie, F. "(3-Methyl-benzonitrile-κN)tetrakis(μ-N-phenylacetamidato)-κ4N:O;κ4O:N-dirhodium(II)(Rh-Rh)." 2013, Acta Cryst., E69, m639.
  22. Eagle, C. T., Quarshie, F. and Cook, K. M. "(3-Methylbenzonitrile-1 N)-cis-tetrakis(μ-N-phenylacetamidato)-1:2κ4N:O;1:2κ4O:N-dirhodium(II)(Rh-Rh)." 2014, Acta Cryst., E70, m304.
  23. Eagle, C. T., Atem-Tambe, N., Kpogo, K. K., Tan, J. and Cook, K. M. "Crystal structure of
    tetrakis(μ-N-phenylacetamidato)-κ4N:O;κ4O:N-bis[(2-methylbenzonitrile-κN)rhodium(II)](Rh-Rh)." 2014, Acta Cryst., E70, m333-m334.
  24. Dhieb, A. C., Janzen, D. E., Rzaigui, M. and Smirani Sta, W. "1-Phenylpiperazine-1,4-diium tetrachloridocobalt(II)." 2014, Acta Cryst., E70, m139.
  25. Dhieb, A. C., Janzen, D. E., Rzaigui, M. and Smirani Sta, W. "Trichlorido(1-ethyl-piperazin-1-ium)cobalt(II)." 2014, Acta Cryst., E70, m166.
  26. Mathlouthi, M., Janzen, D. E., Rzaigui, M. and Smirani Sta, W. "Crystal structure of 2,5-dimethylanilinium hydrogen maleate." 2014, Acta Cryst., E70, o1183-o1184.
  27. Tothadi, S. and Desiraju, G. R. "4-Hydroxybenzamide 1,4-dioxane hemisolvate." 2012, Acta Cryst., E68, o2661.
  28. Okoro, C. O., Siddiquee, T. and Fadeyi, O. O. "5,7-Dibromo-3-trifluoromethyl-3,4-dihydroacridin-1(2H)-one." 2011, Acta Cryst., E67, o2052.
  29. Rahman, M. A., Karim, M., Arifuzzaman, M., Siddiquee, T. & Daniels, L. M. "2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate." 2014, Acta Cryst., E70, o321-o322.
  30. Mapp, L. and Coles, S. "Delivering practical crystallography experience to undergraduate students." 2014, Acta Cryst., A70, C1276.
  31. Frederick P. Malan, Eric Singleton and Reinout Meijboom. "Crystal structure of bis(phenylethynyl)tetrakis(dimethylphenylphosphine)ruthenium(II), C48H54P4Ru." 2014, Z. Kristallogr., NCS 229, pp. 255-257.
  32. Srinu Tothadi and Gautam R. Desiraju. "Unusual co-crystal of isonicotinamide: the structural landscape in crystal engineering." Phil. Trans. R. Soc. A, 2012, 370, pp. 2900–2915.
  33. Daron E. Janzen and Kent R. Mann. "Red and Orange Polymorphs of [Pt(terpy)Cl]Cl·2H2O." 2013, J. Chem. Crystallogr., 43(6), pp. 292-298.
  34. Sunil Varughese, Shashi Bhushan Sinha and Gautam R. Desiraju. "Phenylboronic acids in crystal engineering: Utility of the energetically unfavorable syn,syn-conformation in co-crystal design."
    2011, Science China Chemistry, 54(12), pp. 1909-1919.
  35. Aya Sakon and Hidehiro Uekusa. "Supramolecular Structure of 5-Hydroxyisophtalic Acid-Ethanol 2:1 Solvate." 2012, X-ray Structure Analysis Online, 28, pp. 35-36.
  36. Srinu Tothadi, Balakrishna R. Bhogala, Asha R. Gorantla, Tejender S. Thakur, Ram K. R. Jetti and Gautam R. Desiraju. "Triclabendazole: An Intriguing Case of Co-existence of Conformational and Tautomeric Polymorphism." 2012, Chemistry – An Asian Journal, 7(2), pp. 330–342.
  37. Abdur R Miah, Jagodish C Sarker, Subas Rajbangshi, Shariff E Kabir, Shishir Ghosh and Tasneem A Siddiquee. "Synthesis and characterization of tungsten carbonyl complexes containing thioamides." 2012, Ind. J. Chem., 53A, pp. 274-280.
  38. Jun Zhao, Dong-Sheng Li, Ya-Pan Wu, Wen-Wen Dong, Liang Bai and Jack Y. Lu. "Structural diversity and properties of six coordination polymers derived from 1,2/1,3-phenylenedioxydiacetic acids and varied N-donor co-ligands." 2104, Inorg. Chim. Acta, 413, pp. 6-15.
  39. Tejender S. Thakur, Yasser Azim, Tothani Srinu and Gautam R. Desiraju. "N-H···O and C-H···O interaction mimicry in the 1:1 molecular complexes of 5,5’-diethylbarbituric acid with urea and acetamide." 2010, Current Science, 98(6), pp. 793-802.
  40. Daron E. Janzen and Arianna M. Kooyman. "Gold(III) Assisted C-H activation of 1,4,7-trithiacyclonone: Synthesis and Spontaneous Resolution of a Bicyclic Chiral Sulfonium Salt." 2104,
    Dalton Trans., 43, pp. 3424-3427.
  41. Malay Patra, Klaus Merz and Nils Metzler Nolte. "Planar Chiral (η6-arene)Cr(CO)3 Containing Carboxylic Acid Derivatives: Synthesis and Use in the Preparation of Organometallic Analogues of the Antibiotic Platensimycin." 2012, Dalton Trans., 41, pp. 112-117.
  42. Mohammad Arifuzzaman, Tasneem A. Siddiquee, Mohammad R. Karim, Aminul H. Mirza, Mohamad A. Ali. "Synthesis and Structure of Dimeric Copper (I) Complex from Bis[(2,2’)-dimethyl 2,2’-(1,10-phenanthroline-2,9-diyl) bis(methan-1-yl-1-ylidene)-bis(hydrazinecarbodithioate)]." 2013, Crystal Structure Theory and Applications, 2, pp. 159-166
  43. Pawel Grobelny, Arijit Mukherjee and Gautam R. Desiraju. "Polymorphs and hydrates of Etoricoxil, a selective COX-2 inhibitor." 2012, CrystEngComm, 14, pp. 5785-5794.
  44. Srinu Tothadi. "Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine." 2014, CrystEngComm., 16, pp. 7587-7597.
  45. Arijit Mukherjee, Srinu Tothadi, Shaunak Chakraborty, Somnath Ganguly and Gautam R. Desiraju. "Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study." 2013, CrystEngComm., 15, pp.4640-4654.
  46. M.A. Guino-o, M. J. Folstad and D. E. Janzen "Crystal structures of 2,6-bis[(1H-1,2,4-triazol-1-yl)methyl]pyridine and 1,1-[pyridine-2,6-diylbis(methylene)]bis(4-methyl-1H-1,2,4-triazol-4-ium) iodide triiodide." 2015, Acta Cryst., E71, pp. 128-132.
  47. Lalit Rajput, Palash Sanphui, and Gautam R. Desiraju. "New Solid Forms of the Anti-HIV Drug Etravirine: Salts, Cocrystals and Solubility." 2013, Cryst. Growth Des., 13(8), pp. 3681-3690.
  48. K. A. Siddiqui. "C–H···Onitrate synthon assisted molecular assembly of hydrogen bonded Ni(II) and Cu(II) complexes." 2013, J. Coord. Chem., pp. 2039-2050.
  49. Hoong-Kun Fun, Ching Kheng Quah, Prakash S. Nayak, B. Narayana and B. K. Sarojini. "N-(2-Bromophenyl)-2-(naphthalen-1-yl)acetamide." 2012, Acta Cryst. E71, o2657.
  50. Arijit Mukherjee, Pawel Grobelny, Tejender S. Thakur and Gautam R. Desiraju. "Polymorphs, Pseudopolymorphs and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography." 2011, Cryst. Growth Des., 11, pp. 2637-2653.
  51. Eon S. Burkett and Tasneem A. Siddiquee. "Coordination Nature of 4-Mercaptoaniline to Sn(II) Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV) Complex." 2014, Inorganics, 2(4), pp. 652-659.
  52. Srinu Tothadi, Arijit Mukherjee and Gautam R. Desiraju. "Shape and size mimicry in the design of ternary molecular solids: Towards a robust strategy for crystal engineering." 2011,
    Chem. Commun., 47, pp. 12080-12082.
  53. Jagodish C. Sarkar, Md. Saifur Rahman, Shariff E. Kabir and Tasneem A. Siddiquee. "X-Ray crystal structure of [(μ-H)Os2(CO)4(SnPh3)2(μ-HSnPh2)(μ-dppf)] (dppf= 1,1'́-bis(diphenylphosphino)ferrocene." 2014, Journal of Bangladesh Academy of Sciences, 38(1), pp. 97-101.
  54. Akira Miura, Masanori Nagao, Takahiro Takei, Satoshi Watauchi, Isao Tanaka and Nobuhiro Kumada. "Crystal structures of LaO1-xFxBiS2(x ~ 0.23, 0.46): effect of F doping on distortion of Bi–S plane." 2014, J. Solid State Chem., 212, pp. 213-217.
  55. Daron E. Janzen and Kent R. Mann. "Heteroleptic platinum(II) isocyanide complexes: convenient synthetic access, polymorphs, and vapoluminescence." 2015, Dalton Trans., Advanced Article.
  56. Manish Kumar Mishra, Upadrasta Ramamurty and Gautam R. Desiraju. "Solid Solution Hardening of Molecular Crystals: Tautomeric Polymorphs of Omeprazole." 2015, J. Am. Chem. Soc., Advanced Article.
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