Jasinski Jerry P, Butcher Ray J, Hakim Al-Arique Q N M, Yathirajan H S, Narayana B
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 22;65(Pt 9):o2201-2. doi: 10.1107/S1600536809032693.
In the cation of the title salt, C(11)H(12)ClN(2)O(+)·C(6)H(2)N(3)O(7) (-), the chloro-ethyl side chain is in a syn conformation, nearly orthogonal to the pyrimidine ring, with a dihedral angle of 78.9 (6)° between the plane of the chloro-ethyl chain and the pyrimidine ring. The dihedral angle between the fused rings is 4.3 (3)°. In the picrate anion, the benzene mean plane makes dihedral angles of 26.7 (1), 33.6 (2) and 5.3 (6)° with the two o-NO(2) groups and the p-NO(2) group, respectively. Extensive hydrogen-bond inter-actions occur between the cation-anion pair which help to establish the crystal packing. A three-center O⋯(H,H)-(N,C) acceptor hydrogen bond is observed between the phenolate O atom of the picrate anion and the amine and methyl groups of the cation. An N-H⋯(O,O) bifurcated hydrogen bond is observed between the amine group and two O atoms from the phenolate and o-NO(2) groups.
在标题盐C(11)H(12)ClN(2)O(+)·C(6)H(2)N(3)O(7) (-)的阳离子中,氯乙基侧链呈顺式构象,与嘧啶环近乎正交,氯乙基链平面与嘧啶环之间的二面角为78.9 (6)°。稠合环之间的二面角为4.3 (3)°。在苦味酸盐阴离子中,苯平均平面与两个邻硝基基团和对硝基基团的二面角分别为26.7 (1)°、33.6 (2)°和5.3 (6)°。阳离子 - 阴离子对之间存在广泛的氢键相互作用,这有助于建立晶体堆积。在苦味酸盐阴离子的酚盐O原子与阳离子的胺基和甲基之间观察到一个三中心O⋯(H,H)-(N,C)受体氢键。在胺基与来自酚盐和邻硝基基团的两个O原子之间观察到一个N - H⋯(O,O)分叉氢键。