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2-Benzoyl-amino-N-[5-(4-bromo-phen-yl)-1,3,4-thia-diazol-2-yl]ethanamide.

ABSTRACT: In the structure of the title compound, C(17)H(13)BrN(4)O(2)S, the dihedral angle between the two benzene rings is 38.5?(1)°; the angle between the 4-bromo-benzene and thia-diazole rings is 1.3?(1)°. The conformations of the N-H and C=O bonds are anti with respect to each other. The structure displays inter-molecular N-H?O and C-H?O hydrogen bonding, with both interactions leading to inversion dimers.

SUBMITTER: Huang HM

PROVIDER: S-EPMC2968191 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-Benzoyl-amino-N-[5-(4-bromo-phen-yl)-1,3,4-thia-diazol-2-yl]ethanamide.

Huang Hui-Ming HM Luo Shi-Yuan SY Li Shao-Hua SH Liu Cheng-Mei CM Tu Guo-Gang GG

Acta crystallographica. Section E, Structure reports online 20090117 Pt 2

In the structure of the title compound, C(17)H(13)BrN(4)O(2)S, the dihedral angle between the two benzene rings is 38.5 (1)°; the angle between the 4-bromo-benzene and thia-diazole rings is 1.3 (1)°. The conformations of the N-H and C=O bonds are anti with respect to each other. The structure displays inter-molecular N-H⋯O and C-H⋯O hydrogen bonding, with both interactions leading to inversion dimers. ...[more]

PMID: 21581930

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Crystal structures of the co-crystalline adduct 5-(4-bromo-phen-yl)-1,3,4-thia-diazol-2-amine-4-nitro-benzoic acid (1/1) and the salt 2-amino-5-(4-bromo-phen-yl)-1,3,4-thia-diazol-3-ium 2-carb-oxy-4,6-di-nitro-phenolate.

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