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Redetermination of 1-carboxycyclohexan-1-aminium chloride
The crystal structure of the title compound, C(7)H(14)NO(2) (+)·Cl(−), was reported previously [Chacko, Srinivasan & Zand (1975 ▶). J. Cryst. Mol. Struct. 5, 353–357] from Weissenberg photographic data with R = 0.113. It has now been redetermined, providing a significant increase in the precisio...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968223/ https://www.ncbi.nlm.nih.gov/pubmed/21581862 http://dx.doi.org/10.1107/S1600536808044243 |
Sumario: | The crystal structure of the title compound, C(7)H(14)NO(2) (+)·Cl(−), was reported previously [Chacko, Srinivasan & Zand (1975 ▶). J. Cryst. Mol. Struct. 5, 353–357] from Weissenberg photographic data with R = 0.113. It has now been redetermined, providing a significant increase in the precision of the derived geometric parameters, viz. mean σ(C—C) = 0.003 Å in the present work compared with 0.021 Å for the previous work. The complete cation is generated by crystallographic mirrror symmetry, with three C atoms, two O atoms and the N atom lying on the reflecting plane; the chloride anion also has m site symmetry. The crystal structure is established by a two-dimensional network of O—H⋯Cl and N—H⋯Cl hydrogen bonds, generating C (1) (2)(4) and C (1) (2)(7) chains, and R (2) (4)(8) and R (2) (4)(14) rings. |
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