2-苄基氨基-4-（4-溴苯基）-6,7-二氢-5H-环戊并[b]吡啶-3-甲腈的晶体结构
Crystal structure of 2-benzyl-amino-4-(4-bromo-phen-yl)-6,7-di-hydro-5H-cyclo-penta-[b]pyridine-3-carbo-nitrile.
作者信息
Nagalakshmi R A, Suresh J, Maharani S, Kumar R Ranjith, Lakshman P L Nilantha
机构信息
Department of Physics, The Madura College, Madurai 625 011, India.
Department of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Feb 21;71(Pt 3):296-8. doi: 10.1107/S2056989015002820. eCollection 2015 Mar 1.
In the title compound C22H18BrN3, the cyclo-pentane ring adopts an envelope conformation with the central methyl-ene C atom as the flap. The dihedral angles between the central pyridine ring and the pendant benzyl and and bromo-benzene rings are 82.65 (1) and 47.23 (1)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯Nn (n = nitrile) hydrogen bonds generate R 2 (2)(12) loops. These dimers are linked by weak π-π inter-actions [centroid-centroid distance = 3.7713 (14) Å] into a layered structure.
在标题化合物C₂₂H₁₈BrN₃中，环戊烷环呈信封式构象，以中心亚甲基C原子为瓣。中心吡啶环与悬垂苄基环和溴苯环之间的二面角分别为82.65 (1)°和47.23 (1)°。在晶体中，由N-H⋯Nn（n = 腈）氢键对连接的反演二聚体形成R₂²(12)环。这些二聚体通过弱π-π相互作用[质心-质心距离 = 3.7713 (14) Å]连接成层状结构。
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