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Information card for entry 2022607
Preview
Coordinates | 2022607.cif |
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Structure factors | 2022607.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole |
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Formula | C18 H14 Cl4 N2 O |
Calculated formula | C18 H14 Cl4 N2 O |
SMILES | Clc1c(C(OCc2c(Cl)cc(Cl)cc2)Cn2cncc2)ccc(Cl)c1 |
Title of publication | A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate |
Authors of publication | Kaspiaruk, Hanna; Checińska, Lilianna |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | 6 |
a | 7.1902 ± 0.0005 Å |
b | 18.5341 ± 0.0008 Å |
c | 14.2507 ± 0.0007 Å |
α | 90° |
β | 102.814 ± 0.006° |
γ | 90° |
Cell volume | 1851.81 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1071 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1162 |
Weighted residual factors for all reflections included in the refinement | 0.1384 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.883 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
275475 (current) | 2022-05-17 | cif/ hkl/ Adding structures of 2022607, 2022608, 2022609 via cif-deposit CGI script. |
2022607.cif 2022607.hkl |
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Users of the data should acknowledge the original authors of the
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