Jasinski Jerry P, Butcher Ray J, Hakim Al-Arique Q N M, Yathirajan H S, Narayana B
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 13;66(Pt 2):o347-8. doi: 10.1107/S1600536810000905.
The title compound {systematic name: 3-chloro-5-[3-(dimethyl-amino)prop-yl]-10,11-dihydro-5H-dibenz[b,f]azepinium picrate}, C(19)H(24)ClN(2) (+)·C(6)H(2)N(3)O(7) (-), crystallizes with two independent cation-anion pairs in the asymmetric unit. The chlorimipraminium cation contains two benzene rings (one with a chloro substituent) fused to a V-shaped seven-membered azepine ring whose mean planes are separated by 61.1 (0) and 66.5 (8)° with a 3-(dimethyl-amino)propyl group extending away from the apex of this ring. In the picrate anion, the mean planes of the two o-NO(2) groups in each anion are twisted by 3.7 (2)/31.9 (3) and 31.3 (1)/11.4 (0)°, respectively, with respect to the mean plane of the six-membered benzene ring. The phenolate O atoms are bent slightly away from the mean plane of the benzene ring. The mean planes of the p-NO(2) groups are twisted by 6.6 (1) and 2.88°, respectively, from the mean plane of the benzene ring. The crystal packing features bifurcated N-H⋯(O,O) inter-molecular hydrogen-bond inter-action, which connects each cation-anion pair. Additional π-π ring and C-H⋯π weak inter-molecular inter-actions are also observed.
标题化合物{系统名称:3-氯-5-[3-(二甲基氨基)丙基]-10,11-二氢-5H-二苯并[b,f]氮杂䓬鎓苦味酸盐},C(19)H(24)ClN(2)(+)·C(6)H(2)N(3)O(7)(-),在不对称单元中以两个独立的阳离子-阴离子对结晶。氯米帕明阳离子包含两个苯环(其中一个带有氯取代基)稠合到一个V形七元氮杂䓬环上,其平均平面相隔61.1 (0)和66.5 (8)°,一个3-(二甲基氨基)丙基基团从该环的顶点向外延伸。在苦味酸根阴离子中,每个阴离子中两个邻硝基基团的平均平面相对于六元苯环的平均平面分别扭曲3.7 (2)/31.9 (3)和31.3 (1)/11.4 (0)°。酚盐O原子略微偏离苯环的平均平面。对硝基基团的平均平面相对于苯环的平均平面分别扭曲6.6 (1)和2.88°。晶体堆积具有分叉的N-H⋯(O,O)分子间氢键相互作用,连接每个阳离子-阴离子对。还观察到额外的π-π环和C-H⋯π弱分子间相互作用。