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Information card for entry 2243186
Preview
Coordinates | 2243186.cif |
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Structure factors | 2243186.hkl |
Original IUCr paper | HTML |
Chemical name | 4-Chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1)‒4-hydroxyquinolinium 4-chloro-2-nitrobenzoate |
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Formula | C16 H11 Cl N2 O5 |
Calculated formula | C16 H11 Cl N2 O5 |
Title of publication | Crystal structure of 4-chloro-2-nitrobenzoic acid with 4-hydroxyquinoline: a disordered structure over two states of 4-chloro-2-nitrobenzoic acid‒quinolin-4(1<i>H</i>)-one (1/1) and 4-hydroxyquinolinium 4-chloro-2-nitrobenzoate |
Authors of publication | Gotoh, Kazuma; Ishida, Hiroyuki |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 12 |
Pages of publication | 1853 - 1856 |
a | 12.6336 ± 0.0008 Å |
b | 7.0701 ± 0.0003 Å |
c | 33.5956 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3000.8 ± 0.3 Å3 |
Cell temperature | 190 ± 1 K |
Ambient diffraction temperature | 190 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.1185 |
Weighted residual factors for all reflections included in the refinement | 0.1362 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
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225421 (current) | 2019-11-09 | cif/ hkl/ Adding structures of 2243186 via cif-deposit CGI script. |
2243186.cif 2243186.hkl |
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