N. Dung, B. Viossat, M. D. Sevricourt
Mar 25, 1987
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Journal
Chemical & Pharmaceutical Bulletin
Abstract
The crystal and molecular structure of 1, 4-bis- (cyclopropylmethyl) piperazine dihydrochloride has been determined by single-crystal X-ray diffraction analysis. The crystals are monoclinic, space group P21/c, with a=11.641 (7), b=7.017 (2), c=9.32 (4) A, β=107.99 (6) °, Z=2. The structure was solved by direct methods. The hydrogen atoms were included in the refinement. The final R value is 0.035 for 1513 reflections considered to be observed. The bond distances and angles are in good agreement with the expected values. The 1, 4-bis- cyclopropylmethylpiperazinium (2+) ion has the “chair” conformation with a symmetry center. The crystal packing is due to the electrostatic attraction between chloride and nitrogen atoms, reinforced by hydrogen bonds.