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Information card for entry 2014636
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Coordinates | 2014636.cif |
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Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 8-Hydroxy-2-methylquinoline-7-carboxylic acid monohydrate |
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Formula | C11 H11 N O4 |
Calculated formula | C11 H11 N O4 |
SMILES | c1(ccc2ccc(c(c2[nH+]1)O)C(=O)[O-])C.O |
Title of publication | 7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100K |
Authors of publication | Firley, Delphine; Fraisse, Bernard; Zouhiri, Fatima; Spasojević-de Biré, Anne; Desmaële, Didier; d'Angelo, Jean; Ghermani, Nour Eddine |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 3 |
Pages of publication | o154 - o157 |
a | 6.6556 ± 0.0007 Å |
b | 7.8062 ± 0.0008 Å |
c | 9.669 ± 0.001 Å |
α | 75.043 ± 0.002° |
β | 86.534 ± 0.002° |
γ | 79.042 ± 0.002° |
Cell volume | 476.45 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.1052 |
Weighted residual factors for all reflections included in the refinement | 0.1089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014636.html
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