Acta Crystallographica Section C
Volume 66, Part 4 (April 2010)
Hydrogen-bonded dimers, chains and rings in six differently substituted 2-vinyltetrahydro-1,4-epoxy-1-benzazepines
Abstract: In (2SR,4RS)-2-exo-vinyl-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C12H13NO, (I), the molecules are linked by two independent C-H(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, C14H16ClNO, (II), are linked by a C-HO 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, C15H18ClNO, (III), are linked into centrosymmetric dimers by pairs of symmetry-related C-H(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, C15H18ClNO, (IV), is a diastereoisomer of (III) and, as for (II), a single C-HO 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, C14H16ClNO, (V), contains a C-HO hydrogen bond which links pairs of molecules into centrosymmetric R22(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, C13H13Cl2NO, (VI), is an inversion twin containing both the (2S,4R) and (2R,4S) enantiomers in the space group P21, and a C-HO hydrogen bond links molecules of a given configuration into simple C(3) chains.
Formula: C12H13NO, C14H16ClNO, C15H18ClNO, C15H18ClNO, C14H16ClNO and C13H13Cl2NONotes:
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