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2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)-N-(3-meth-oxy-benz-yl)acetamide.

ABSTRACT: The asymmetric unit of the title compound, C(21)H(22)N(4)O(4)S, contains two mol-ecules (A and B), in which the thia-zine rings adopt an S-envelope conformation with the S atoms displaced by 0.621?(2) and 0.697?(2)?Å from the mean planes formed by the remaining ring atoms. The dihedral angles between the N-methyl-acetamide groups and the meth-oxy-benzene rings are 8.67?(10) and 54.49?(6)° in the two mol-ecules and the equivalent torsion angles in the N-methyl-acetamide chains connecting the ring systems also differ. In the crystal, N-H?O hydrogen bonds connect the components into C(4) [100] chains of alternating A and B mol-ecules. The packing is consolidated by weak C-H?O inter-actions, which generate a three-dimensional network.

SUBMITTER: Ahmad M

PROVIDER: S-EPMC3515172 | biostudies-other | 2012 Nov

REPOSITORIES: biostudies-other

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2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)-N-(3-meth-oxy-benz-yl)acetamide.

Ahmad Matloob M Siddiqui Hamid Latif HL Zia-Ur-Rehman Muhammad M Aslam Sana S Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20121003 Pt 11

The asymmetric unit of the title compound, C(21)H(22)N(4)O(4)S, contains two mol-ecules (A and B), in which the thia-zine rings adopt an S-envelope conformation with the S atoms displaced by 0.621 (2) and 0.697 (2) Å from the mean planes formed by the remaining ring atoms. The dihedral angles between the N-methyl-acetamide groups and the meth-oxy-benzene rings are 8.67 (10) and 54.49 (6)° in the two mol-ecules and the equivalent torsion angles in the N-methyl-acetamide chains connecting the ring ...[more]

PMID: 23284399

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