Hameed Shahid, Ahmad Mushtaq, Tahir M Nawaz, Israr Muhammad, Anwar Muhammad
Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan ; Medicinal Botanic Centre, PCSIR Laboratories Complex, Peshawar, Pakistan.
Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 14;69(Pt 9):o1419. doi: 10.1107/S1600536813022137. eCollection 2013.
The title compound, C13H12N4O2, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Mol-ecule B is planar to within 0.044 (3) Å for all non-H atoms, while mol-ecule A is slightly twisted, with a dihedral angle of 6.29 (4)° between the mean planes of the pyrazine-2-carbohydrazide and 1-(2-hy-droxy-phen-yl)ethanone moieties (r.m.s. deviations = 0.0348 and 0.0428 Å, respectively). S(5) and S(6) ring motifs are formed in both mol-ecules due to the presence of intra-molecular O-H⋯N and N-H⋯N hydrogen bonds. In the crystal, mol-ecules A and B are linked by a C-H⋯O hydrogen bond. They stack along the a-axis direction, forming columns with π-π inter-actions involving inversion-related pyrazine and benzene rings [centroid-centroid distances = 3.5489 (13)-3.8513 (16) Å].
标题化合物C₁₃H₁₂N₄O₂在不对称单元中结晶出两个独立分子（A和B）。分子B的所有非氢原子平面度在0.044 (3) Å以内，而分子A略有扭曲，吡嗪-2-碳酰肼和1-(2-羟基苯基)乙酮部分的平均平面之间的二面角为6.29 (4)°（均方根偏差分别为0.0348和0.0428 Å）。由于分子内O-H⋯N和N-H⋯N氢键的存在，两个分子中均形成了S(5)和S(6)环基序。在晶体中，分子A和B通过C-H⋯O氢键相连。它们沿a轴方向堆积，形成柱体，涉及反演相关的吡嗪环和苯环的π-π相互作用[质心-质心距离 = 3.5489 (13)-3.8513 (16) Å]。
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