Rusu Elena, Shova Sergiu, Rusu Gheorghe
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2436. doi: 10.1107/S1600536812031029. Epub 2012 Jul 14.
The title compound, 3C(10)H(8)N(4)·2C(7)H(6)O(5)·2CH(4)O, has a mol-ecular crystal structure which results from the cocrystallization of gallic acid (GA), 4,4'-azodipyridine (AzPy) and methanol in a 2:3:2 molar ratio. The asymmetric unit comprises one molecule each of GA, AzPy and methanol in general positions and half a molecule of AzPy as this is located about a centre of inversion. In the crystal, all the components of the structure are associated via the extended system of hydrogen bonds (O-H⋯O and O-H⋯N) and π-π stacking inter-actions [centroid-centroid distance = 3.637 (3) Å] into two-dimensional supra-molecular layers which are packed parallel to the [101] plane. The shortest perpendicular distance and the slippage between aromatic groups are 3.395 (3) and 2.152 (3) Å, respectively. The AzPy mol-ecules display a trans conformation with respect to the azo groups.
标题化合物3C(10)H(8)N(4)·2C(7)H(6)O(5)·2CH(4)O具有分子晶体结构，它是由没食子酸（GA）、4,4'-偶氮二吡啶（AzPy）和甲醇以2:3:2的摩尔比共结晶形成的。不对称单元在一般位置包含一个GA分子、一个AzPy分子和一个甲醇分子，以及半个AzPy分子，因为它位于一个倒转中心上。在晶体中，结构的所有组分通过氢键（O-H⋯O和O-H⋯N）和π-π堆积相互作用[质心-质心距离 = 3.637 (3) Å]的扩展体系关联成平行于[101]平面堆积的二维超分子层。芳香基团之间的最短垂直距离和滑移分别为3.395 (3)和2.152 (3) Å。AzPy分子相对于偶氮基团呈反式构象。
