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1.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 4): 534-538, 2020 Apr 01.
Article in English | MEDLINE | ID: mdl-32280499

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 39.89 (7)° with that of the benzene ring. In the crystal, weak C-H⋯O inter-actions link the mol-ecules along the a-axis direction to form infinite mol-ecular chains. H⋯H inter-atomic inter-actions, C-H⋯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.

2.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 4): o261-2, 2015 Apr 01.
Article in English | MEDLINE | ID: mdl-26029446

ABSTRACT

In the title hydrated salt, C9H8NO(+)·C8H4NO6 (-)·H2O, the deprotonated carboxyl-ate group is almost normal to its attached benzene ring [dihedral angle = 83.56 (8)°], whereas the protonated carboxyl-ate group is close to parallel [dihedral angle = 24.56 (9)°]. In the crystal, the components are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating [001] chains. The packing is consolidated by C-H⋯O and π-π [centroid-to-centroid distances = 3.6408 (9) and 3.6507 (9) Å] inter-actions, which result in a three-dimensional network.

3.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 5): o270-1, 2015 May 01.
Article in English | MEDLINE | ID: mdl-25995899

ABSTRACT

In the anion of the title hydrated mol-ecular salt, C9H8N(+)·C8H4NO6 (-)·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carb-oxy 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 inter-actions as well as aromatic π-π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] inter-actions, resulting in a three-dimensional network.

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