N-(Benzothiazol-2-yl)-3-chlorobenzamide

  • The title molecule, C14H9ClN2OS, exists in the solid state in its amide form with a typical C=O bond length, as well as shortened C-N bonds. The plane containing the HNCO atoms subtends dihedral angles of 12.3 (4) and 8.1 (3)° with the planes of the phenyl ring and benzothiazole group, respectively, whereas the dihedral angle between the planes of the phenyl ring and the benzothiazole group is 5.96 (6)°. In the crystal, molecules form intermolecular N-H...N hydrogen bonds, generating independent scissor-like R22(8) dimers. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.028; wR factor = 0.079; data-to-parameter ratio = 13.3.

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Metadaten
Author:M. Khawar Rauf, Michael BolteORCiD, Amin Badshah
URN:urn:nbn:de:hebis:30-69392
DOI:https://doi.org/10.1107/S1600536809016481
Parent Title (English):Acta crystallographica / Section E, Structure reports online
Document Type:Article
Language:English
Year of Completion:2009
Year of first Publication:2009
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2009/09/08
Volume:65
Issue:o1245
Note:
This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Source:Acta Crystallographica Section E, Structure Reports Online, 2009, E65, o1245 ; doi:10.1107/S1600536809016481
HeBIS-PPN:217548369
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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