Crystal Structure of 2-<Emphasis Type="Italic">Exo</Emphasis>-Phenyl-2,3,4,5-Tetrahydro-1,4-Epoxinafto[1,2-b]azepine |
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Authors: | Vicmar?E?Gonzalez Luis?A?Vizcaya Email author" target="_blank">Asiloé?J?MoraEmail author Gerzon?E?Delgado Ali?Bahsas Andrés?F?Yépes Alirio?Palma |
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Institution: | 1.Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias,Universidad de Los Andes,Mérida,Venezuela;2.Laboratorio de RMN, Grupo de Productos Naturales, Departamento de Quiímica, Facultad de Ciencias,Universidad de los Andes,Mérida,Venezuela;3.Laboratorio de Síntesis Orgánica, Escuela de Química,Universidad Industrial de Santander,Bucaramanga,Colombia |
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Abstract: | Abstract The title compound, C20H17NO, crystallizes in the orthorhombic P212121 space group with unit cell parameters a = 7.6903(7) ?, b = 18.979(2) ?, c = 19.753(2) ?, with two crystallographically independent molecules in the asymmetric unit, which differ from one another
in the slight rotation of the phenyl ring; this allows the formation of three internal hydrogen bonds, two of the type C–H···N
and one of the type C–H···O, in one of the molecules, in contrast with only two of the type C–H···N in the other. The compound
is rich in aromatic π rings and therefore the crystal packing is entirely dominated by cohesive weak C–H···π interactions
among neighboring molecules producing an efficient packing with 71.2% of occupied space. |
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