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3,4-二甲基-2-(2-氧代-2-苯基-乙基)-2H,4H-吡唑并-[4,3-c][1,2]苯并噻嗪-5,5-二酮

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

作者信息

Aslam Sana, Siddiqui Hamid Latif, Ahmad Matloob, Bukhari Iftikhar Hussain, Parvez Masood

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o502. doi: 10.1107/S1600536812002188. Epub 2012 Jan 21.

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.

摘要

在标题分子C(19)H(17)N(3)O(3)S中,杂环噻嗪环呈半椅式构象,硫原子和氮原子分别在由其余环原子形成的平均平面的相对两侧,位移量分别为0.530(5) Å和0.229(6) Å。乙酮基相对于苯环的夹角为3.8(3)°,苯环几乎垂直于吡唑环,两个平面之间的二面角为89.22(11)°。存在弱的分子间C-H⋯O氢键相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/72c7/3275247/eb58693a300d/e-68-0o502-fig1.jpg

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