Crystal structure, Hirshfeld surface analysis and DFT studies of 6-[(E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydropyridazin-3(2H)-one

Crystal structure, Hirshfeld surface analysis and DFT studies of 6-[(E)-2-(thiophen-2-yl)ethenyl]-4,5-dihydropyridazin-3(2H)-one

In the title compound, C10H10N2OS, the five atoms of the thiophene ring are essentially coplanar (r.m.s. deviation = 0.0037 Å) and the pyridazine ring is non-planar. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into dimers with an R22(8) ring motif. The dimers are linked by C—H...

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Bibliographic Details
Main Authors: Said Daoui, Emine Berrin Çınar, Fouad El Kalai, Rafik Saddik, Necmi Dege, Khalid Karrouchi, Noureddine Benchat
Format: Article
Language:English
Published: International Union of Crystallography 2019-12-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
dihydropyridazine
dft
molecular electrostatic potential
pyridazine
thiophen
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019015147

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http://scripts.iucr.org/cgi-bin/paper?S2056989019015147

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