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2-(3,4-二甲基-5,5-二氧代-2H,4H-吡唑并-[4,3-c][1,2]苯并噻嗪-2-基)-N-(3-甲氧基-苄基)乙酰胺

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.

作者信息

Ahmad Matloob, Siddiqui Hamid Latif, Zia-Ur-Rehman Muhammad, Aslam Sana, Parvez Masood

机构信息

Department of Chemistry, Government College University, Faisalabad 38000, Pakistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3064-5. doi: 10.1107/S1600536812040226. Epub 2012 Oct 3.

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.

摘要

标题化合物C(21)H(22)N(4)O(4)S的不对称单元包含两个分子(A和B),其中噻嗪环呈S-信封构象,S原子分别偏离由其余环原子形成的平均平面0.621 (2) Å和0.697 (2) Å。在这两个分子中,N-甲基乙酰胺基团与甲氧基苯环之间的二面角分别为8.67 (10)°和54.49 (6)°,连接环系统的N-甲基乙酰胺链中的等效扭转角也不同。在晶体中,N-H⋯O氢键将各组分连接成由A和B分子交替排列的C(4) [100]链。通过弱C-H⋯O相互作用使堆积得以巩固,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bc2/3515172/c09b6f06c689/e-68-o3064-fig1.jpg

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