Sowmya N Swarna, Sampathkrishnan S, Sudhahar S, Kumar R Mohan, Chakkaravarthi G
Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai 602 117, India.
Department of Physics, Presidency College, Chennai 600 005, India.
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 21;70(Pt 12):o1280. doi: 10.1107/S1600536814025318. eCollection 2014 Dec 1.
In the title hydrated mol-ecular salt, C8H12N(+)·C6H4NO3 (-)·H2O, the conformation of the side chain in the cation is anti [C-C-C-N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, generating (10-1) sheets, which feature R 4 (4)(21) loops. The sheets inter-act by weak aromatic π-π stacking inter-actions [centroid-centroid distance = 3.896 (3) Å], forming a three-dimensional network.
在标题水合分子盐C8H12N(+)·C6H4NO3 (-)·H2O中，阳离子侧链的构象为反式[C-C-C-N = 179.62 (12)°]，阴离子中芳环与硝基之间的二面角为3.34 (11)°。在晶体中，各组分通过O-H⋯O和N-H⋯O氢键相连，形成(10-1)层，其具有R 4 (4)(21)环。这些层通过弱的芳环π-π堆积相互作用[质心-质心距离 = 3.896 (3) Å]相互作用，形成三维网络。
