Acta Crystallographica Section C

Volume 65, Part 9 (September 2009)

organic compounds

fa3200 scheme

Acta Cryst. (2009). C65, o465-o469 [ doi:10.1107/S0108270109030339 ]

Four differently substituted 2-aryl-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions

S. L. Gómez, C. M. Sanabria, A. Palma, A. Bahsas, J. Cobo and C. Glidewell

Abstract: In (2RS,4SR)-7-chloro-2-exo-(2-chloro-6-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C₁₆H₁₂Cl₂FNO, (I), molecules are linked into chains by a single C-H [pi] (arene) hydrogen bond. (2RS,4SR)-2-exo-(2-Chloro-6-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C₁₆H₁₃ClFNO, (II), is isomorphous with compound (I) but not strictly isostructural with it, as the hydrogen-bonded chains in (II) are linked into sheets by an aromatic [pi] - [pi] stacking interaction. The molecules of (2RS,4SR)-7-methyl-2-exo-(4-methylphenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C₁₈H₁₉NO, (III), are linked into sheets by a combination of C-HN and C-H [pi] (arene) hydrogen bonds. (2S,4R)-2-exo-(2-Chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C₁₆H₁₄ClNO, (IV), crystallizes as a single enantiomer and the molecules are linked into a three-dimensional framework structure by a combination of one C-HO hydrogen bond and three C-H [pi] (arene) hydrogen bonds.

Formula: C₁₆H₁₂Cl₂FNO, C₁₆H₁₃ClFNO, C₁₈H₁₉NO and C₁₆H₁₄ClNO


	Structure factor file (CIF format) (152.4 kbytes) [ doi:10.1107/S0108270109030339/fa3200Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (143.3 kbytes) [ doi:10.1107/S0108270109030339/fa3200IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (141.8 kbytes) [ doi:10.1107/S0108270109030339/fa3200IVsup5.hkl ] Contains datablock IV

	Structure factor file (CIF format) (153.8 kbytes) [ doi:10.1107/S0108270109030339/fa3200IIIsup4.hkl ] Contains datablock III

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