Gómez Sandra L, Sanabria Carlos M, Palma Alirio, Bahsas Ali, Cobo Justo, Glidewell Christopher
Laboratorio de Síntesis Orgánica, Escuela de Química, Universidad Industrial de Santander, AA 678 Bucaramanga, Colombia.
Acta Crystallogr C. 2009 Sep;65(Pt 9):o465-9. doi: 10.1107/S0108270109030339. Epub 2009 Aug 19.
In (2RS,4SR)-7-chloro-2-exo-(2-chloro-6-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(16)H(12)Cl(2)FNO, (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, C(16)H(13)ClFNO, (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, C(18)H(19)NO, (III), are linked into sheets by a combination of C-H...N and C-H...pi(arene) hydrogen bonds. (2S,4R)-2-exo-(2-Chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, C(16)H(14)ClNO, (IV), crystallizes as a single enantiomer and the molecules are linked into a three-dimensional framework structure by a combination of one C-H...O hydrogen bond and three C-H...pi(arene) hydrogen bonds.
在（2RS，4SR）-7-氯-2-外向-（2-氯-6-氟苯基）-2，3，4，5-四氢-1H-1，4-环氧-1-苯并氮杂䓬，C(16)H(12)Cl(2)FNO，（I）中，分子通过单一的C-H...π（芳烃）氢键连接成链。（2RS，4SR）-2-外向-（2-氯-6-氟苯基）-2，3，4，5-四氢-1H-1，4-环氧-1-苯并氮杂䓬，C(16)H(13)ClFNO，（II）与化合物（I）同构，但与其并非严格等结构，因为（II）中的氢键链通过芳香π-π堆积相互作用连接成片。（2RS，4SR）-7-甲基-2-外向-（4-甲基苯基）-2，3，4，5-四氢-1H-1，4-环氧-1-苯并氮杂䓬，C(18)H(19)NO，（III）的分子通过C-H...N和C-H...π（芳烃）氢键的组合连接成片。（2S，4R）-2-外向-（2-氯苯基）-2，3，4，5-四氢-1H-1，4-环氧-1-苯并氮杂䓬，C(16)H(14)ClNO，（IV）以单一对映体形式结晶，分子通过一个C-H...O氢键和三个C-H...π（芳烃）氢键的组合连接成三维骨架结构。
