N-[(E)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine

In the title thiophene-derived Schiff base compound, C12H8N2S2, the thiophene ring is slighty rotated from the benzothiazole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the molecule from the nine-atom mean plane defined b...

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Bibliographic Details
Main Authors: Irvin N. Booysen, Muhammed B. Ismail, Matthew P. Akerman
Format: Article
Language:English
Published: International Union of Crystallography 2012-08-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812030498
Description
Summary:In the title thiophene-derived Schiff base compound, C12H8N2S2, the thiophene ring is slighty rotated from the benzothiazole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the molecule from the nine-atom mean plane defined by the non-H atoms of the benzothiazole ring system is 0.572 (1) Å, exhibited by the C atom at the 3-position of the thiophene ring. In the crystal, weak C—H...S hydrogen bonds involving the thiophene group S atom and the 4-position thiophene C—H group of a symmetry-related molecule lead to an infinite one-dimensional chain colinear with the c axis. The structure is further stabilized by π–π interactions; the distance between the thiazole ring centroid and the centroid of an adjacent benzene ring is 3.686 (1) Å. The crystal studied was an inversion twin with the ratio of components 0.73 (3):0.27 (3).
ISSN:1600-5368