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(2Z)-N-(2-Chloro-benz-yl)-2-(2-oxo-2,3-dihydro-1H-indol-3-yl-idene)hydrazinecarbothio-amide.

ABSTRACT: In the title compound, C(16)H(13)ClN(4)OS, the isatin ring system is oriented at dihedral angles of 10.60?(7) and 72.60?(3)° with respect to the thio-semicarbazide and 2-chloro-benzyl groups, respectively. The near planarity of the isatin and thio-semicarbazide groups [r.m.s. deviations of 0.0420 and 0.0163?Å, respectively] is reinforced by intra-molecular N-H?O and N-H?N hydrogen bonds, which generate S(6) and S(5) rings, respectively. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops. Aromatic ?-? stacking inter-actions between the centroids of heterocyclic five-membered and benzene rings [distance = 3.6866?(11)?Å] are also observed.

SUBMITTER: Pervez H

PROVIDER: S-EPMC3435743 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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(2Z)-N-(2-Chloro-benz-yl)-2-(2-oxo-2,3-dihydro-1H-indol-3-yl-idene)hydrazinecarbothio-amide.

Pervez Humayun H Khan Nazia N Iqbal Mohammad S MS Yaqub Muhammad M Tahir M Nawaz MN

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9

In the title compound, C(16)H(13)ClN(4)OS, the isatin ring system is oriented at dihedral angles of 10.60 (7) and 72.60 (3)° with respect to the thio-semicarbazide and 2-chloro-benzyl groups, respectively. The near planarity of the isatin and thio-semicarbazide groups [r.m.s. deviations of 0.0420 and 0.0163 Å, respectively] is reinforced by intra-molecular N-H⋯O and N-H⋯N hydrogen bonds, which generate S(6) and S(5) rings, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯O h ...[more]

PMID: 22969614

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