Work

Crystal structure of 1-amino-3-(4-chlorophenyl)-2-cyano-3H-benzo[4,5]thiazolo[3,2-a]pyridine-4-carboxamide

Year: 2025

Type: article

Abstract: In the structure of the title compound, C19H13ClN4OS, the four atoms of the pyridinic ring that are not fused with the thiazole, including the sp 3 C atom, lie significantly outside the benzothiazole plane. A short intramolecular S...O contact of 2.5992 (4) Å is observed. The amide NH2 group is planar, whereas the amine NH2 group is pyramidalized. The three-dimensional packing involves two interconnected layer structures. The first, parallel to the bc plane, involves three classical hydrogen bonds N—Hamine...O (one of two), N—Hamine...Cl and one N—Hamide ...Ncyano; the second, parallel to the ab plane, involves two hydrogen bonds, N—Hamide...O and the second N—Hamine...O, together with the short and linear contact Ncyano...Cl—C, which may be regarded as a halogen bond.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025001562

Authors: Nadia H. Metwally, Galal H. Elgemeie, El-shimaa S. M. Abd Al-latif, Peter G. Jones

Institutions: Cairo University, Helwan University, Technische Universität Braunschweig

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

OpenAlex ID: W4408153670

FWCI: 0.639

Cites: 25

Cited by: 3

Related to: 10