ABSTRACT
The title compound, C13H16ClNO, contains a methyl-piperidine ring in the stable chair conformation. The mean plane of the twisted piperidine ring subtends a dihedral angle of 39.89â (7)° with that of the benzene ring. In the crystal, weak C-Hâ¯O inter-actions link the mol-ecules along the a-axis direction to form infinite mol-ecular chains. Hâ¯H inter-atomic inter-actions, C-Hâ¯O inter-molecular inter-actions and weak dispersive forces stabilize mol-ecular packing and form a supra-molecular network, as established by Hirshfeld surface analysis.
ABSTRACT
In the title hydrated salt, C9H8NO(+)·C8H4NO6 (-)·H2O, the deprotonated carboxyl-ate group is almost normal to its attached benzene ring [dihedral angle = 83.56â (8)°], whereas the protonated carboxyl-ate group is close to parallel [dihedral angle = 24.56â (9)°]. In the crystal, the components are linked by N-Hâ¯O and O-Hâ¯O hydrogen bonds, generating [001] chains. The packing is consolidated by C-Hâ¯O and π-π [centroid-to-centroid distances = 3.6408â (9) and 3.6507â (9)â Å] inter-actions, which result in a three-dimensional network.
ABSTRACT
In the anion of the title hydrated mol-ecular salt, C9H8N(+)·C8H4NO6 (-)·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56â (5) and 6.86â (8)°, respectively, with the attached benzene ring, whereas the deprotonated carb-oxy group is almost orthogonal to it with a dihedral angle of 80.21â (1)°. In the crystal, the components are linked by O-Hâ¯O and N-Hâ¯O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C-Hâ¯N and C-Hâ¯O inter-actions as well as aromatic π-π stacking [centroid-to-centroid distances: 3.7023â (8) & 3.6590â (9)Å] inter-actions, resulting in a three-dimensional network.