The title salt, C(13)H(22)NO(3)(+)·C(7)H(5)O(2)(-), comprises one salbutamol cation {sys-tematic name: 4-[2-(tert-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol} and a benzoate anion. The cation shows disorder of the hy-droxy group [occupancy ratio 0.738â (3):0.262â (3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30â (8)°] is linked to the salbutamol cation by a medium-strength O-Hâ¯O hydrogen bond. Other inter-molecular O-Hâ¯O and N-Hâ¯O hydrogen bonds of weaker nature give rise to [001] chains.
Crystal structure of rac-4-[2-(tert-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol benzoate.
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作者:Liu Wenju, Chen Qiliang, Yu Linda
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2017 | 起止号: | 2017 Aug 11; 73(Pt 9):1333-1335 |
| doi: | 10.1107/S2056989017011513 | ||
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