Crystal Structure, Packing, and Analysis of Hirshfeld Surfaces of 3a-(p-tolyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazol-1(2H)-one

Crystal and molecular structures of 3a-( p -tolyl)-3,3a-dihydrobenzo[ d ]pyrrolo[2,1- b ]thiazole-1(2 H )-one obtained by condensing 4-oxo-4-( p -tolyl)butane acid with 2-aminothiophenol are studied using XRD spectroscopy. The crystal of compound 1 occurs in the form of two crystallographically inde...

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Bibliographic Details
Published in:Journal of structural chemistry 2019-10, Vol.60 (10), p.1688-1692
Main Authors: Grinev, V. S., Linkova, E. I., Vasilchenko, D. S., Egorova, A. Yu
Format: Article
Language:English
Subjects:
Atomic
Atomic/Molecular Structure and Spectra
Chemistry
Chemistry and Materials Science
Crystal structure
Crystallography
Crystals
Hydrogen atoms
Hydrogen bonds
Inorganic Chemistry
Molecular
Optical and Plasma Physics
Oxygen atoms
Physical Chemistry
Solid State Physics
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Summary:Crystal and molecular structures of 3a-( p -tolyl)-3,3a-dihydrobenzo[ d ]pyrrolo[2,1- b ]thiazole-1(2 H )-one obtained by condensing 4-oxo-4-( p -tolyl)butane acid with 2-aminothiophenol are studied using XRD spectroscopy. The crystal of compound 1 occurs in the form of two crystallographically independent molecules. The crystal has no hydrogen bonds and stacking interactions, but the analysis of Hirshfeld surfaces shows that the molecules are weakly stabilized by non-covalent interactions between oxygen atoms and hydrogen atoms of methyl groups as well as by the interactions between hydrogen atoms and carbon atoms of the benzothiazole fragment.
ISSN:0022-4766
1573-8779
DOI:10.1134/S0022476619100159