Acta Crystallographica Section C

Volume 65, Part 9 (September 2009)

organic compounds

 

Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines

M. C. Blanco, A. Palma, A. Bahsas, J. Cobo and C. Glidewell

Abstract: The molecules of (2RS,4SR)-2-exo-(5-bromo-2-thienyl)-7-chloro-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C₁₄H₁₁BrClNOS, (I), are linked into cyclic centrosymmetric dimers by C-H(thienyl) hydrogen bonds. Each such dimer makes rather short BrBr contacts with two other dimers. In (2RS,4SR)-2-exo-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C₁₅H₁₅NOS, (II), a combination of C-HO and C-H(thienyl) hydrogen bonds links the molecules into chains of rings. A more complex chain of rings is formed in (2RS,4SR)-7-chloro-2-exo-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C₁₅H₁₄ClNOS, (III), built from a combination of two independent C-HO hydrogen bonds, one C-H(arene) hydrogen bond and one C-H(thienyl) hydrogen bond.

Formula: C₁₄H₁₁BrClNOS, C₁₅H₁₅NOS and C₁₅H₁₄ClNOS

	Structure factor file (CIF format) (150.7 kbytes) [ doi:10.1107/S0108270109031199/gg3212Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (141.2 kbytes) [ doi:10.1107/S0108270109031199/gg3212IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (147.4 kbytes) [ doi:10.1107/S0108270109031199/gg3212IIIsup4.hkl ] Contains datablock III

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