Fun Hoong-Kun, Chidan Kumar C S, Patrao Prescilla, Khader A M A, Kalluraya Balakrishna
X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia ; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riyadh 11451, Saudi Arabia.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 6;69(Pt 4):o491-2. doi: 10.1107/S1600536813005837. Print 2013 Apr 1.
The asymmetric unit of the title compound, C26H18N6O4S, contains two independent mol-ecules (A and B). The dihedral angles between the oxadiazole ring and naphthalene ring system are 42.59 (14) and 6.88 (14) Å in mol-ecules A and B, respectively. The dihedral angles between the pyridine and benzene rings in A and B are 65.53 (13 )and 87.67 (13) Å, respectively. In the crystal, mol-ecules A and B are linked through a pair of N-H⋯N hydrogen bonds involving one -NH2 group H atom and second pair of N-H⋯N hydrogen bonds involving the other -NH2 group H atom, forming an -ABAB- ribbon along [100] containing R 2 (2)(8) and R 2 (2)(12) ring motifs. These ribbons are further connected by weak C-H⋯N, C-H⋯O and C-H⋯π inter-actions, resulting in a three-dimensional network. The crystal studied was a non-merohedral twin with refined components 0.906 (1):0.094 (1).
标题化合物C26H18N6O4S的不对称单元包含两个独立分子（A和B）。在分子A和B中，恶二唑环与萘环系统之间的二面角分别为42.59 (14)°和6.88 (14)°。在A和B中，吡啶环与苯环之间的二面角分别为65.53 (13)°和87.67 (13)°。在晶体中，分子A和B通过一对涉及一个-NH2基团H原子的N-H⋯N氢键以及涉及另一个-NH2基团H原子的第二对N-H⋯N氢键相连，沿着[100]形成一个包含R 2 (2)(8)和R 2 (2)(12)环模式的-ABAB-带状结构。这些带状结构通过弱的C-H⋯N、C-H⋯O和C-H⋯π相互作用进一步连接，形成三维网络。所研究的晶体为非等轴孪晶，精修组分比例为0.906 (1):0.094 (1)。
