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Crystal and Molecular Structure of Non‐hydrated and Hydrated Piperidinium‐acet‐o‐Cl‐anilide‐chloride
Author(s) -
Reck G.,
Kretschmer R. G.
Publication year - 1979
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19790140913
Subject(s) - chemistry , molecule , crystal structure , hydrogen bond , crystallography , chloride , crystal (programming language) , yield (engineering) , materials science , organic chemistry , computer science , metallurgy , programming language
Crystallizations from water and alcoholic solution respectively yield different crystal and molecular structures of Piperidinium‐acet‐o‐Cl‐anilide‐chloride. The non‐hydrated compound crystallizes from alcoholic solution in the space group P 2 1 /c with 4 formula units C 13 H 18 N 2 OCl 2 in the unit cell of dimensions a = 12.352 Å, b = 6.864 Å, c = 19.018 Å and β = 113.98°. The hydrated modification has the space group C 2/c with 8 formula units C 13 H 18 N 2 OCl 2 and 8 H 2 O molecules in the unit cell. The lattice constants are a = = 24.159 Å, b = 8.966 Å, c = 14.179 Å and β = 90.50°. The X‐ray structure analyses were carried out to investigate the hydrogen bonds and the change of the molecular conformation caused by linking of water molecules to the drug molecules.