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5-氨基-5'-溴-2'-氧代-2,3-二氢-1-螺-[咪唑并[1,2-]吡啶-7,3'-吲哚啉]-6,8-二甲腈二甲亚砜溶剂化物的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 5-amino-5'-bromo-2'-oxo-2,3-di-hydro-1-spiro-[imidazo[1,2-]pyridine-7,3'-indoline]-6,8-dicarbo-nitrile dimethyl sulfoxide disolvate.

作者信息

Naghiyev Farid N, Khrustalev Victor N, Novikov Anton P, Akkurt Mehmet, Rzayev Rovnag M, Akobirshoeva Anzurat A, Mamedov Ibrahim G

机构信息

Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az 1148, Baku, Azerbaijan.

Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow 117198, Russian Federation.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 May 10;78(Pt 6):554-558. doi: 10.1107/S2056989022004741. eCollection 2022 Jun 1.

Abstract

In the title compound, CHBrNO·2CHOS, the 1,2,3,7-tetra-hydro-imid-azo[1,2-]pyridine ring system and the oxindole moiety are both nearly planar [maximum deviations = 0.042 (2) and 0.115 (2) Å, respectively] and their planes form a dihedral angle of 86.04 (5)° with each other. Inter-molecular N-H⋯O, C-H⋯O and C-H⋯N hydrogen bonds link mol-ecules in the crystal through the O atoms of the solvent mol-ecules, generating a three-dimensional network. A Hirshfeld surface analysis was performed to further analyse the inter-molecular inter-actions.

摘要

在标题化合物CHBrNO·2CHOS中,1,2,3,7-四氢咪唑并[1,2 - ]吡啶环系和羟吲哚部分均近乎平面(最大偏差分别为0.042 (2) 和0.115 (2) Å),且它们的平面相互间形成86.04 (5)°的二面角。分子间的N - H⋯O、C - H⋯O和C - H⋯N氢键通过溶剂分子的O原子连接晶体中的分子,形成三维网络。进行了 Hirshfeld 表面分析以进一步分析分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7af8/9431780/dc6d112e6e16/e-78-00554-fig1.jpg

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