Crystal structure of quinolinium 2-carboxy-6-nitro­benzoate monohydrate

Acta Crystallographica Section E: Crystallographic Communications

Chakkaravarthi, G.¹  Divya Bharathi, M.²  Anbalagan, G.²  Mohana, J.²  Ahila, G.² 

[1]Department of Physics, CPCL Polytechnic College, Chennai 600 068, India

[2]Department of Physics, Presidency College, Chennai 600 005, India

关键词: CRYSTAL STRUCTURE;    MOLECULAR SALT;    QUINOLINIUM;    2-CARBOXY-6-NITROBENZOATE;    HYDROGEN BONDING;    [PI]-[PI] STACKING INTERACTIONS;   

DOI  :  10.1107/S2056989015006052

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the anion of the title hydrated mol­ecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carb­oxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H⋯N and C—H⋯O inter­actions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] inter­actions, resulting in a three-dimensional network.

【 授权许可】

CC BY