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(E)-1-[1-(6-Bromo-2-oxo-2H-chromen-3-yl)ethyl-idene]thio-semicarbazide.

ABSTRACT: The title compound, C(12)H(10)BrN(3)O(2)S, exists in an E configuration with respect to the C=N bond. The approximately planar 2H-chromene ring system [maximum deviation = 0.059?(1)?Å] is inclined at a dihedral angle of 17.50?(5)° with respect to the mean plane through the thio-semicarbazide unit and an intra-molecular N-H?N hydrogen bond generates an S(5) ring. In the crystal structure, adjacent mol-ecules are linked by N-H?S hydrogen bonds, forming [010] chains built up from R(2) (2)(8) loops, such that each S atom accepts two such bonds. These chains are further inter-connected into sheets parallel to the ab plane via short Br?O inter-actions [3.0732?(13)?Å] and a ?-? aromatic stacking inter-action [3.7870?(8)?Å] is also observed.

SUBMITTER: Arshad A

PROVIDER: S-EPMC2979475 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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(E)-1-[1-(6-Bromo-2-oxo-2H-chromen-3-yl)ethyl-idene]thio-semicarbazide.

Arshad Afsheen A Osman Hasnah H Chan Kit Lam KL Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100529 Pt 6

The title compound, C(12)H(10)BrN(3)O(2)S, exists in an E configuration with respect to the C=N bond. The approximately planar 2H-chromene ring system [maximum deviation = 0.059 (1) Å] is inclined at a dihedral angle of 17.50 (5)° with respect to the mean plane through the thio-semicarbazide unit and an intra-molecular N-H⋯N hydrogen bond generates an S(5) ring. In the crystal structure, adjacent mol-ecules are linked by N-H⋯S hydrogen bonds, forming [010] chains built up from R(2) (2)(8) loops, ...[more]

PMID: 21579554

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