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Information card for entry 1550541
Preview
| Coordinates | 1550541.cif |
|---|---|
| Structure factors | 1550541.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine |
|---|---|
| Formula | C17 H11 Cl N4 O2 |
| Calculated formula | C17 H11 Cl N4 O2 |
| SMILES | c1(ccc(cc1)Cl)c1cc(c2nnc(Nc3ccccc3)o2)no1 |
| Title of publication | 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine |
| Authors of publication | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hayal Alotaibi, Mohammad; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | x190136 |
| a | 17.8925 ± 0.0015 Å |
| b | 7.4168 ± 0.0006 Å |
| c | 11.5006 ± 0.0009 Å |
| α | 90° |
| β | 102.061 ± 0.008° |
| γ | 90° |
| Cell volume | 1492.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213447 (current) | 2019-02-02 | cif/ hkl/ Adding structures of 1550541 via cif-deposit CGI script. |
1550541.cif 1550541.hkl |
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Users of the data should acknowledge the original authors of the
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