The structure of the title compound {systematic name: 4-[4-(4-chloro-phen-yl)-4-hy-droxy-piperidin-1-yl]-N,N-dimethyl-2,2-di-phenyl-butanamide monohydrate}, C(29)H(33)ClN(2)O(2)·H(2)O, has been redetermined at 170â (2)â K. The redetermination is of significantly higher precision than the previous structure determination at room temperature and includes the H-atom coordinates that were not included in the previous report [Germain et al. (1977 â¶). Acta Cryst. B33, 942-944]. It consists of a piperidin-1-yl ring in a distorted chair conformation, with the N,N-dimethyl-α,α-diphenyl-butyramide and the 4-chloro-phenyl and hy-droxy groups bonded in para positions and an external water mol-ecule within the asymmetric unit. The dihedral angles between the mean plane of the piperidine ring and the 4-chloro-phenyl and two benzene rings are 83.4â (5), 76.4â (2) and 85.9â (2)°, respectively. The two benzene rings are inclined to one another by 50.8â (6)°. In the crystal, mol-ecules are linked by O-Hâ¯O and O-Hâ¯N hydrogen bonds and weak C-Hâ¯O intermolecular interactions, forming an infinite two-dimensional network along [110].
Redetermination of loperamide monohydrate.
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作者:Jasinski Jerry P, Guild Curtis J, Dayananda A S, Yathirajan H S, Ramesha A R
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2012 | 起止号: | 2012 Feb 1; 68(Pt 2):o539-40 |
| doi: | 10.1107/S1600536812003091 | ||
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