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1-(4-氯苯基)-4-(4-甲基苯基)-2,5-二氧代-1,2,5,6,7,8-六氢喹啉-3-羧酸和4-(4-甲氧基苯基)-1-(4-甲基苯基)-2,5-二氧代-1,2,5,6,7,8-六氢喹啉-3-甲腈的晶体结构

Crystal structures of 1-(4-chloro-phen-yl)-4-(4-methyl-phen-yl)-2,5-dioxo-1,2,5,6,7,8-hexa-hydro-quinoline-3-carb-oxy-lic acid and 4-(4-meth-oxy-phen-yl)-1-(4-methyl-phen-yl)-2,5-dioxo-1,2,5,6,7,8-hexa-hydro-quinoline-3-carbo-nitrile.

作者信息

Allah Omyma A Abd, Kaur Manpreet, Akkurt Mehmet, Mohamed Shaaban K, Tamam Asmaa H A, Elgarhy Sahar M I, Jasinski Jerry P

机构信息

Chemistry Department, Faculty of Science, Sohag University, 82524 Sohag, Egypt.

Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Mar 5;77(Pt 4):351-355. doi: 10.1107/S2056989021002140. eCollection 2021 Apr 1.

Abstract

In the title compounds CHClNO [, namely 1-(4-chloro-phen-yl)-4-(4-methyl-phen-yl)-3,8-dioxo-1,2,5,6,7,8-hexa-hydro-quine-3-carb-oxy-lic acid] and CHNO [, namely 4-(4-meth-oxy-phen-yl)-1-(4-methyl-phen-yl)-2,5-dioxo-1,2,5,6,7,8-hexa-hydro-quinoline-3-carbo-nitrile], each of the cyclo-hexene and di-hydro-pyridine rings of the 1,2,5,6,7,8-hexa-hydro-quinoline moieties adopts a twisted-boat conformation. The asymmetric units of both compounds and consist of two independent mol-ecules ( and ). In , three carbon atoms of the cyclo-hexene ring are disordered over two sets of sites in a 0.670 (11):0.330 (11) occupancy ratio. In the crystal of , mol-ecules are linked through classical N-H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif and with their mol-ecular planes parallel to the crystallographic (020) plane. Non-classical C-H⋯O hydrogen-bonding inter-actions connect the dimers, resulting in a three-dimensional network. In the crystal of , mol-ecules are linked by C-H⋯N, C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network.

摘要

在标题化合物CHClNO [即1-(4-氯苯基)-4-(4-甲基苯基)-3,8-二氧代-1,2,5,6,7,8-六氢喹啉-3-羧酸]和CHNO [即4-(4-甲氧基苯基)-1-(4-甲基苯基)-2,5-二氧代-1,2,5,6,7,8-六氢喹啉-3-腈]中,1,2,5,6,7,8-六氢喹啉部分的每个环己烯环和二氢吡啶环均采用扭船构象。化合物 和 的不对称单元均由两个独立分子( 和 )组成。在 中,环己烯环的三个碳原子在两组位置上无序排列,占有率比为0.670 (11):0.330 (11)。在 的晶体中,分子通过经典的N-H⋯O氢键相连,形成具有 (8)环模式且分子平面平行于晶体学(020)平面的反演二聚体。非经典的C-H⋯O氢键相互作用连接这些二聚体,形成三维网络。在 的晶体中,分子通过C-H⋯N、C-H⋯O和C-H⋯π相互作用相连,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c97/8025871/3f4a370ecffc/e-77-00351-fig1.jpg

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