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N'-(2-Chloro-benzyl-idene)-2-(3,4-dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)acetohydrazide.

ABSTRACT: The asymmetric unit of the title compound, C(20)H(18)ClN(5)O(3)S, contains two independent mol-ecules with significantly different conformations of the heterocyclic thia-zine rings. In both mol-ecules, the thia-zine rings adopt half-chair conformations, with the S atoms displaced by 0.382?(3) and 0.533?(3)?Å and N atoms -0.351 and -0.275?Å, respectively, from the planes formed by the remaining ring atoms. The crystal structure is stabilized by weak inter-molecular N-H?O and C-H?O inter-actions.

SUBMITTER: Ahmad M

PROVIDER: S-EPMC3050389 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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N'-(2-Chloro-benzyl-idene)-2-(3,4-dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)acetohydrazide.

Ahmad Matloob M Siddiqui Hamid Latif HL Khattak Manzoor Iqbal MI Ahmad Saeed S Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20101224 Pt 1

The asymmetric unit of the title compound, C(20)H(18)ClN(5)O(3)S, contains two independent mol-ecules with significantly different conformations of the heterocyclic thia-zine rings. In both mol-ecules, the thia-zine rings adopt half-chair conformations, with the S atoms displaced by 0.382 (3) and 0.533 (3) Å and N atoms -0.351 and -0.275 Å, respectively, from the planes formed by the remaining ring atoms. The crystal structure is stabilized by weak inter-molecular N-H⋯O and C-H⋯O inter-actions. ...[more]

PMID: 21522717

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