Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks

作者: German L. Perlovich , Alex M. Ryzhakov , Valery V. Tkachev , Lars Kr. Hansen , Oleg A. Raevsky

DOI: 10.1021/CG400666V

关键词:

摘要: The crystal structures of ten sulfonamides have been determined by X-ray diffraction. On the basis our previous data, obtained results and literature data properties including molecular conformational states, packing architecture, hydrogen bond networks were comparatively analyzed using graph set notations. Conformational flexibility bridge connecting two phenyl rings was studied. It found out that most frequently occurring graphs for compounds with a single are infinite chains four atoms included. architecture selected crystals may be conditionally divided into three different groups. idea underlying such classification is difference in structure composition layers can singled packings. influence various fragments on lattice energy analyzed. A correlation between melting points fragmental interactions lattices obtaine...

参考文章(55)
X. Zielenkiewicz, G. L. Perlovich, M. Wszelaka-Rylik, The Vapour Pressure and the Enthalpy of Sublimation: Determination by inert gas flow method Journal of Thermal Analysis and Calorimetry. ,vol. 57, pp. 225- 234 ,(1999) , 10.1023/A:1010179814511
J.C. Osborn, P. York, A comparison of sublimation enthalpies with lattice energies calculated using force fields Journal of Molecular Structure. ,vol. 474, pp. 43- 47 ,(1999) , 10.1016/S0022-2860(98)00558-4
B. Delley, From molecules to solids with the DMol3 approach Journal of Chemical Physics. ,vol. 113, pp. 7756- 7764 ,(2000) , 10.1063/1.1316015
Kosuke Katagiri, Takashi Ikeda, Masahide Tominaga, Hyuma Masu, Isao Azumaya, Coordination Polymers and Networks Constructed from Bidentate Ligands Linked with Sulfonamide and Silver(I) Ions Crystal Growth & Design. ,vol. 10, pp. 2291- 2297 ,(2010) , 10.1021/CG100013G
Kalyan K Sethi, Saurabh M Verma, Naru Prasanthi, Suvendu K Sahoo, Rabi N Parhi, P Suresh, None, 3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors Bioorganic & Medicinal Chemistry Letters. ,vol. 20, pp. 3089- 3093 ,(2010) , 10.1016/J.BMCL.2010.03.104
German L. Perlovich, Alex M. Ryzhakov, Nadezda N. Strakhova, Vladimir P. Kazachenko, Klaus-Jürgen Schaper, Oleg A. Raevsky, Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides The Journal of Chemical Thermodynamics. ,vol. 43, pp. 683- 689 ,(2011) , 10.1016/J.JCT.2010.12.007
Paul H. Bell, Richard O. Roblin, Studies in Chemotherapy. VII. A Theory of the Relation of Structure to Activity of Sulfanilamide Type Compounds1 Journal of the American Chemical Society. ,vol. 64, pp. 2905- 2917 ,(1942) , 10.1021/JA01264A055
Palash Sanphui, Bipul Sarma, Ashwini Nangia, Polymorphism in Secondary Benzene Sulfonamides Crystal Growth & Design. ,vol. 10, pp. 4550- 4564 ,(2010) , 10.1021/CG100845F
Rose‐Marie Dannenfelser, Samuel H. Yalkowsky, Predicting the total entropy of melting: application to pharmaceuticals and environmentally relevant compounds. Journal of Pharmaceutical Sciences. ,vol. 88, pp. 722- 724 ,(1999) , 10.1021/JS9803609
Mino R. Caira, Sulfa drugs as model cocrystal formers. Molecular Pharmaceutics. ,vol. 4, pp. 310- 316 ,(2007) , 10.1021/MP070003J