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Information card for entry 1546722
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| Coordinates | 1546722.cif |
|---|---|
| Structure factors | 1546722.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Chloro-2-nitro-1-(2-phenylethyl)benzene |
|---|---|
| Formula | C14 H12 Cl N O2 |
| Calculated formula | C14 H12 Cl N O2 |
| SMILES | Clc1cc(N(=O)=O)c(cc1)CCc1ccccc1 |
| Title of publication | 4-Chloro-2-nitro-1-(2-phenylethyl)benzene |
| Authors of publication | Manjunath, N. K.; Nabil Najib, A. A.; Nagendra, P.; Siddaraju, B. P; Swamy, M. T.; Byrappa, K.; Madan Kumar, S. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 4 |
| Pages of publication | x170547 |
| a | 14.201 ± 0.003 Å |
| b | 7.3285 ± 0.0012 Å |
| c | 12.974 ± 0.004 Å |
| α | 90° |
| β | 105.89 ± 0.02° |
| γ | 90° |
| Cell volume | 1298.6 ± 0.5 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 | 0.124 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1766 |
| Weighted residual factors for all reflections included in the refinement | 0.2198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199318 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546722 via cif-deposit CGI script. |
1546722.cif 1546722.hkl |
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Users of the data should acknowledge the original authors of the
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