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六种不同取代的2-乙烯基四氢-1,4-环氧-1-苯并氮杂卓中的氢键二聚体、链和环。

Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines.

作者信息

Acosta Lina M, Palma Alirio, Bahsas Ali, Cobo Justo, Glidewell Christopher

机构信息

Laboratorio de Síntesis Orgánica, Escuela de Química, Universidad Industrial de Santander, AA 678 Bucaramanga, Colombia.

出版信息

Acta Crystallogr C. 2010 Apr;66(Pt 4):o209-14. doi: 10.1107/S0108270110009017. Epub 2010 Mar 16.

DOI:10.1107/S0108270110009017
PMID:20354313
Abstract

In (2SR,4RS)-2-exo-vinyl-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(12)H(13)NO, (I), the molecules are linked by two independent C-H...pi(arene) hydrogen bonds to form sheets, such that all of the molecules in a given sheet are of the same configuration. The molecules of (2SR,4RS)-7-chloro-2-exo-(2-methylprop-1-enyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(14)H(16)ClNO, (II), are linked by a C-H...O hydrogen bond into C(4) chains, where all the molecules in a given chain are of the same configuration, whereas the molecules of (2SR,4RS)-8-chloro-9-methyl-2-exo-(2-methylprop-1-enyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(15)H(18)ClNO, (III), are linked into centrosymmetric dimers by pairs of symmetry-related C-H...pi(arene) hydrogen bonds. (2RS,4RS)-8-Chloro-9-methyl-2-endo-(2-methylprop-1-enyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(15)H(18)ClNO, (IV), is a diastereoisomer of (III) and, as for (II), a single C-H...O hydrogen bond links the molecules into C(4) chains, each containing molecules of a single configuration. The structure of (2SR,4RS)-8-chloro-9-methyl-2-exo-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(14)H(16)ClNO, (V), contains a C-H...O hydrogen bond which links pairs of molecules into centrosymmetric R(2)(2)(6) dimers. (2SR,4RS)-7,9-Dichloro-2-exo-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(13)H(13)Cl(2)NO, (VI), is an inversion twin containing both the (2S,4R) and (2R,4S) enantiomers in the space group P2(1), and a C-H...O hydrogen bond links molecules of a given configuration into simple C(3) chains.

摘要

在(2SR,4RS)-2-外向-乙烯基-2,3,4,5-四氢-1H-1,4-环氧-1-苯并氮杂䓬,C(12)H(13)NO,(I)中,分子通过两个独立的C-H...π(芳烃)氢键相连形成片层,使得给定片层中的所有分子具有相同的构型。(2SR,4RS)-7-氯-2-外向-(2-甲基丙-1-烯基)-2,3,4,5-四氢-1H-1,4-环氧-1-苯并氮杂䓬,C(14)H(16)ClNO,(II)的分子通过一个C-H...O氢键连接成C(4)链,其中给定链中的所有分子具有相同的构型,而(2SR,4RS)-8-氯-9-甲基-2-外向-(2-甲基丙-1-烯基)-2,3,4,5-四氢-1H-1,4-环氧-1-苯并氮杂䓬,C(15)H(18)ClNO,(III)的分子通过对称相关的C-H...π(芳烃)氢键对连接成中心对称二聚体。(2RS,4RS)-8-氯-9-甲基-2-内向-(2-甲基丙-1-烯基)-2,3,4,5-四氢-1H-1,4-环氧-1-苯并氮杂䓬,C(15)H(18)ClNO,(IV)是(III)的非对映异构体,并且与(II)一样,单个C-H...O氢键将分子连接成C(4)链,每个链包含单一构型的分子。(2SR,4RS)-8-氯-9-甲基-2-外向-(丙-1-烯-2-基)-2,3,4,5-四氢-1H-1,4-环氧-1-苯并氮杂䓬,C(14)H(16)ClNO,(V)的结构包含一个C-H...O氢键,该氢键将分子对连接成中心对称的R(2)(2)(6)二聚体。(2SR,4RS)-7,9-二氯-2-外向-(丙-1-烯-2-基)-2,

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