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3,4-Dimethyl-2-(2-oxo-2-phenyl-eth-yl)-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zine-5,5-dione.

ABSTRACT: In the title mol-ecule, C(19)H(17)N(3)O(3)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.530?(5) and 0.229?(6)?Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The ethanone group lies at an angle of 3.8?(3)° with respect to the benzene ring, which lies almost perendicular to the pyrazole ring, with a dihedral between the two planes of 89.22?(11)°. Weak inter-molecular C-H?O hydrogen-bonding inter-actions are present.

SUBMITTER: Aslam S

PROVIDER: S-EPMC3275247 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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3,4-Dimethyl-2-(2-oxo-2-phenyl-eth-yl)-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zine-5,5-dione.

Aslam Sana S Siddiqui Hamid Latif HL Ahmad Matloob M Bukhari Iftikhar Hussain IH Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20120121 Pt 2

In the title mol-ecule, C(19)H(17)N(3)O(3)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.530 (5) and 0.229 (6) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The ethanone group lies at an angle of 3.8 (3)° with respect to the benzene ring, which lies almost perendicular to the pyrazole ring, with a dihedral between the two planes of 89.22 (11)°. Weak inter-molecular C-H⋯O hydrogen-bonding inter-a ...[more]

PMID: 22347103

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