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Information card for entry 2240746
Preview
Coordinates | 2240746.cif |
---|---|
Structure factors | 2240746.hkl |
Original IUCr paper | HTML |
Chemical name | (4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-Chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one |
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Formula | C19 H15 Cl N2 O2 |
Calculated formula | C19 H15 Cl N2 O2 |
SMILES | c1(ccccc1)N1C(=O)/C(=C(/C=C/c2ccccc2Cl)O)C(=N1)C |
Title of publication | Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one |
Authors of publication | Shahid, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Salim, Muhammad; Malik, Khizar Iqbal |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 6 |
Pages of publication | o407 - o408 |
a | 7.2348 ± 0.0003 Å |
b | 12.8737 ± 0.0006 Å |
c | 17.7843 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1656.41 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0717 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.0798 |
Weighted residual factors for all reflections included in the refinement | 0.0913 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2240746.html
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Users of the data should acknowledge the original authors of the
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