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Tetrahedron, ISSN 0040-4020, 03/2019, Volume 75, Issue 9, pp. 1231 - 1245
Herein, we present a full account of our studies with respect to the reactivity of insufficiently explored 1λ -isothiazolidine-1,1,4-triones (so-called... 
Electrophiles | Nucleophiles | Sulfonamides | Spiro compounds | X-ray study
Journal Article
CRYSTENGCOMM, ISSN 1466-8033, 11/2017, Volume 19, Issue 42, pp. 6274 - 6288
Acceptor properties of the amino groups of aniline and ortho, meta and para-diaminobenzenes in the crystal phase have been studied through the analysis of... 
TOPOLOGY | 3,4-DIAMINO-1,2,4-TRIAZOLE | ISOMORPHISM | INTERMOLECULAR INTERACTION ENERGIES | ANILINE | DIRECT NUMERICAL-INTEGRATION | PATTERNS | BASIS-SETS | CRYSTALLOGRAPHY | ELECTRON-DENSITIES | POLARIZATION | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
CrystEngComm, ISSN 1466-8033, 2017, Volume 19, Issue 47, pp. 7162 - 7176
The influence on the geometric characteristics and acceptor properties of the amino groups has been studied in substituted diaminobenzenes. Quantum-chemical... 
TOPOLOGY | NITROANILINES | DIPOLE-MOMENT | SUPRAMOLECULAR ARCHITECTURE | MOLECULE | ANILINE | CRYSTALS | CRYSTALLOGRAPHY | SPECTRA | CHEMISTRY, MULTIDISCIPLINARY | Quantum chemistry | Hydrogen bonds | Stacking | Environment models | Chemical bonds | Nitrogen | Crystal structure
Journal Article
CrystEngComm, ISSN 1466-8033, 2019, Volume 21, Issue 18, pp. 2908 - 2919
Intermolecular interactions and their role in the crystal packing formation have been studied in benzene, mono-nitrobenzene and all isomers of dinitrobenzene... 
CHARGE-DENSITY | PI-PI-INTERACTIONS | ELECTRON-DENSITY DISTRIBUTION | SUPRAMOLECULAR ARCHITECTURE | MOLECULAR-STRUCTURE | STACKING INTERACTION | INTERACTION ENERGIES | AB-INITIO | X-RAY-DIFFRACTION | BASIS-SETS | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
2000, ISBN 9785884510845, 272
Book
Acta Crystallographica Section C, ISSN 2053-2296, 06/2019, Volume 75, Issue 6, pp. 822 - 832
The polymorphic study of 3‐(3‐phenyl‐1H‐1,2,4‐triazol‐5‐yl)‐2H‐1‐benzopyran‐2‐one, C17H11N3O2, was performed due to its potential biological activity and... 
crystal structure | pairwise interaction energy | polymorphic modifications | concomitant crystallization | 1‐benzopyran‐2‐one | Pairwise interaction energy | Concomitant crystallization | 1-benzopyran-2-one | Polymorphic modifications | Crystal structure | Hydrogen bonds | Column packings | Hydrogen ion concentration | Biological activity
Journal Article
Acta Crystallographica Section C, ISSN 2053-2296, 11/2019, Volume 75, Issue 11, pp. 1541 - 1553
This study of 3‐(5‐phenyl‐1,3,4‐oxadiazol‐2‐yl)‐2H‐chromen‐2‐one, C17H10N2O3, 1, and 3‐[5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazol‐2‐yl]‐2H‐chromen‐2‐one, C16H9N3O3, 2,... 
crystal structure | 2H‐chromen‐2‐one | 1,3,4‐oxadiazole | polymorphic modifications | coumarin | pairwise interaction energies | DESIGN | 2H-chromen-2-one | DOCKING | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | ANTICANCER | SUPRAMOLECULAR ARCHITECTURE | ANTIBACTERIAL ACTIVITY | 1,3,4-oxadiazole | BIOLOGICAL EVALUATION | CRYSTALS | DERIVATIVES | HYBRIDS | Columnar structure | Crystals | Crystal structure | Polymorphism | Anticancer properties
Journal Article
CRYSTENGCOMM, ISSN 1466-8033, 12/2019, Volume 21, Issue 45, pp. 6945 - 6957
The crystal structures of the carboxamide and thiocarboxamide derivatives of coumarin and 2-iminocoumarin have been studied thoroughly by comparing their... 
TOPOLOGY | BENZENE | SUPRAMOLECULAR ARCHITECTURE | DISPERSION | INTERMOLECULAR INTERACTION ENERGIES | DIRECT NUMERICAL-INTEGRATION | BASIS-SETS | CRYSTALLOGRAPHY | ELECTRON-DENSITIES | CHEMISTRY, MULTIDISCIPLINARY | SYNTHONS
Journal Article
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