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N-(Diethyl-carbamothio-yl)-4-nitro-benzamide.

ABSTRACT: In the title compound, C(12)H(15)N(3)O(3)S, the 4-nitro and carbonyl groups are nearly coplanar with the benzene ring [C-C-N-O = -175.72?(14) and C-C-C-O = 172.75?(14)°]. The diethyl-carbamothioyl group is twisted significantly from the plane of the benzene ring [C-N-C-N = -89.79?(15)°] with the S atom pointing away from each of these groups [C-N-C-S = 91.12?(14)°]. In the crystal, an inter-molecular N-H?O hydrogen bond, which forms an infinite polymeric chain along the c axis, and weak C-H?O and C-H?S hydrogen bonds are observed.

SUBMITTER: Saeed S

PROVIDER: S-EPMC2983343 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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N-(Diethyl-carbamothio-yl)-4-nitro-benzamide.

Saeed Sohail S Rashid Naghmana N Jasinski Jerry P JP Butcher Ray J RJ Rizwan Hussain H

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

In the title compound, C(12)H(15)N(3)O(3)S, the 4-nitro and carbonyl groups are nearly coplanar with the benzene ring [C-C-N-O = -175.72 (14) and C-C-C-O = 172.75 (14)°]. The diethyl-carbamothioyl group is twisted significantly from the plane of the benzene ring [C-N-C-N = -89.79 (15)°] with the S atom pointing away from each of these groups [C-N-C-S = 91.12 (14)°]. In the crystal, an inter-molecular N-H⋯O hydrogen bond, which forms an infinite polymeric chain along the c axis, and weak C-H⋯O an ...[more]

PMID: 21587569

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