(E)-7-[(4-Nitrophenyl)diazenyl]-3a-(p-tolyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-acetonitrile solvate: crystal structure, Hirshfeld analysis and DFT estimation of the energy of intermolecular interactions

(E)-7-[(4-Nitrophenyl)diazenyl]-3a-(p-tolyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-acetonitrile solvate: crystal structure, Hirshfeld analysis and DFT estimation of the energy of intermolecular interactions

In the crystal structure of the title compound, C23H19N5O3·0.58C2H6OS·0.42C2H3N, prepared by the azo coupling of the 4-nitrophenyldiazonium salt with 3a-(p-tolyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one, the azo molecules are linked by N—H...O hydrogen bonds into chains along the...

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Bibliographic Details
Main Authors: Vyacheslav S. Grinev, Natalya V. Babkina, Alevtina Yu. Yegorova
Format: Article
Language:English
Published: International Union of Crystallography 2017-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
X-ray diffraction analysis
π–π interactions
DFT calculations
energy of π–π interactions
Hirshfeld analysis
azo dye
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989017013937

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http://scripts.iucr.org/cgi-bin/paper?S2056989017013937

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