Ahmad Mushtaq, Hameed Shahid, Tahir M Nawaz, Anwar Muhammad, Israr Muhammad
Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan ; Medicinal Botanic Centre, PCSIR Laboratories Complex, Peshawar, Pakistan.
Department of Chemistry, Quaid-i-Azam University, Islamabad, Pakistan.
Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 12;69(Pt 11):o1635. doi: 10.1107/S1600536813027426.
In the title compound, C12H9BrN4O, the dihedral angle between the aromatic rings is 12.16 (12)°. An intra-molecular N-H⋯N hydrogen bond closes an S(5) ring. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into C(6) chains propagating in [010]. Very weak aromatic π-π stacking [centroid-centroid separations = 3.9189 (15) and 3.9357 (15) Å] is also observed.
在标题化合物C₁₂H₉BrN₄O中,芳环之间的二面角为12.16 (12)°。分子内N—H⋯N氢键形成一个S(5)环。在晶体中,C—H⋯O氢键将分子连接成沿[010]方向延伸的C(6)链。还观察到非常弱的芳环π-π堆积作用(质心间距 = 3.9189 (15) 和3.9357 (15) Å)。