(2SR,4RS)-2-exo-Phenyl-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C16H15NO, (I), (2SR,4RS)-2-exo-(4-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C16H14ClNO, (II), and (2SR,4RS)-2-exo-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C17H17NO, (III), all crystallize with Z′ = 2, in the space groups Cc, P21/n and P21/c, respectively. In each of (II) and (III), the conformations of the two independent molecules are significantly different. The molecules in (I) are linked by C—H⋯π(arene) hydrogen bonds to form two independent chains, each containing only one type of molecule. The molecules in (II) are linked into sheets by a combination of C—H⋯O, C—H⋯(N,O) and C—H⋯π(arene) hydrogen bonds, all of which link pairs of molecules related by inversion, while in (III), the molecules are linked into sheets by a combination of C—H⋯N, C—H⋯O and C—H⋯π(arene) hydrogen bonds. There are no direction-specific intermolecular interactions of any kind in the structure of (2SR,4RS)-7-bromo-2-exo-phenyl-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C16H14BrNO, (IV), but in the structure of (2SR,4RS)-2-exo-(4-bromophenyl)-7-chloro-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C16H13BrClNO, (V), a combination of one C—H⋯N hydrogen bond and one C—H⋯O hydrogen bond links the molecules into sheets of alternating centrosymmetric R22(14) and R66(22) rings. Comparisons are made with the structures of a number of related compounds.
Tópico:
Crystal structures of chemical compounds
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FuenteActa Crystallographica Section C Crystal Structure Communications
