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Information card for entry 2311958
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Coordinates | 2311958.cif |
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Original IUCr paper | HTML |
Common name | Oxyclozanide benzene hemisolvate |
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Chemical name | 2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide benzene hemisolvate |
Formula | C16 H9 Cl5 N O3 |
Calculated formula | C16 H9 Cl5 N O3 |
Title of publication | Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide. |
Authors of publication | Sridhar, Balasubramanian; Ravikumar, Krishnan |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2017 |
Journal volume | 73 |
Journal issue | Pt 12 |
Pages of publication | 1056 - 1063 |
a | 7.1681 ± 0.00008 Å |
b | 9.28821 ± 0.0001 Å |
c | 13.42132 ± 0.00015 Å |
α | 88.3124 ± 0.0005° |
β | 85.6481 ± 0.0005° |
γ | 69.7508 ± 0.0005° |
Cell volume | 835.927 ± 0.016 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.121 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2311958.html
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