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1-苯磺酰基-2-甲基-3-(4-硝基苯甲酰基)-2,3-二氢-1-吲哚和1-苯磺酰基-2-甲基-3-[(噻吩-2-基)羰基]-2,3-二氢-1-吲哚的晶体结构

Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1-indole.

作者信息

Dhanalakshmi G, Saravanan Velu, Mohanakrishnan Arasambattu K, Aravindhan S

机构信息

Department of Physics, Misrimal Navajee Munoth Jain Engineering College, Chennai, 600 097, India.

Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai, 600 025, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Sep 29;73(Pt 10):1555-1559. doi: 10.1107/S2056989017012804. eCollection 2017 Oct 1.

Abstract

In the title indole derivatives, CHNOS, (I) and CHNOS, (II), the sulfonyl-bound phenyl rings are almost orthogonal to the indole ring system, subtending dihedral angles of 88.33 (10) and 87.58 (16)°, respectively. In both compounds, the sulfonyl S atom has a distorted tetra-hedral geometry [O-S-O = 119.98 (9) and N-S-C = 104.01 (8)° for compound (I) and O-S-O = 120.08 (18) and N-S-C = 104.91 (14)° for compound (II)] and the sum of the bond angles at N indicates hybridization. The mol-ecules of both (I) and (II) feature intra-molecular C-H⋯O hydrogen bonds that generate (6) ring motifs with the sulfone O atom. In the crystals, mol-ecules of (I) are linked by C-H-O hydrogen bonds, forming (18) ring motifs while mol-ecules of (II) are linked by C-H-O and C-H-S hydrogen bonds, forming (12) ring motifs. Compound (II) was refined as an inversion twin.

摘要

在标题吲哚衍生物CHNOS(I)和CHNOS(II)中,与磺酰基相连的苯环几乎与吲哚环系正交,二面角分别为88.33 (10)°和87.58 (16)°。在这两种化合物中,磺酰基的S原子具有扭曲的四面体几何构型[化合物(I)的O-S-O = 119.98 (9)°,N-S-C = 104.01 (8)°;化合物(II)的O-S-O = 120.08 (18)°,N-S-C = 104.91 (14)°],且N处键角之和表明存在杂化。化合物(I)和(II)的分子均具有分子内C-H⋯O氢键,与砜O原子形成(6)环结构单元。在晶体中,化合物(I)的分子通过C-H-O氢键相连,形成(18)环结构单元,而化合物(II)的分子通过C-H-O和C-H-S氢键相连,形成(12)环结构单元。化合物(II)被精修为一个倒转孪晶。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8247/5730317/c594e815fea8/e-73-01555-fig1.jpg

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