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Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carboxyl-ate.

作者信息

Mukhtar Asma, Tahir M Nawaz, Khan Misbahul Ain, Ather Abdul Qayyum, Sajid Naveed

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2041. doi: 10.1107/S1600536812025251. Epub 2012 Jun 13.

Abstract

In the title compound, C(17)H(18)N(2)O(3)S, the dihedral angles between the thio-phene ring and the ethyl ester group and the pyridine-4-carboxamide unit are 7.1 (2) and 9.47 (11)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds between the tetra-hydro-1-benzothio-phene and the pyridine-4-carboxamide residues generate R(2) (2)(16) loops. There exists positional disorder in three methelene groups of the cyclo-hexane ring and the terminal C atom of the ethyl ester side chain in a 0.691 (14):0.309 (14) occupancy ratio.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fea0/3393309/0b0cb2c4bd35/e-68-o2041-fig1.jpg

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