Türkyılmaz Murat, Baran Yakup, Ozdemir Namık
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1282. doi: 10.1107/S1600536811015625. Epub 2011 Apr 29.
In the title mol-ecular salt, C(17)H(17)N(5) (+)·2ClO(4) (-), the dihedral angles between the fused-ring system and the pendant five- and six-membered heterocyclic rings are 6.4 (2) and 41.29 (19)°, respectively. The O atoms of both perchlorate anions are disordered over two sets of sites with occupancy ratios of 0.614 (8):0.386 (8) and 0.591 (7):0.409 (7). An intra-molecular C-H⋯N contact occurs in the cation. In the crystal, the components are linked by N-H⋯O and C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid separation = 3.642 (3) Å].
在标题分子盐C(17)H(17)N(5)(+)·2ClO(4)(-)中,稠环体系与悬挂的五元及六元杂环之间的二面角分别为6.4 (2)°和41.29 (19)°。两个高氯酸根阴离子的O原子在两组位置上无序分布,占有率分别为0.614 (8):0.386 (8)和0.591 (7):0.409 (7)。阳离子中存在分子内C-H⋯N接触。在晶体中,各组分通过N-H⋯O和C-H⋯O氢键以及π-π堆积相互作用相连[质心-质心间距 = 3.642 (3) Å]。