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Information card for entry 1543740
Preview
| Coordinates | 1543740.cif |
|---|---|
| Structure factors | 1543740.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide) |
|---|---|
| Formula | C16 H14 Cl2 N2 O2 |
| Calculated formula | C16 H14 Cl2 N2 O2 |
| SMILES | Clc1c(C(=O)NCCNC(=O)c2ccccc2Cl)cccc1 |
| Title of publication | <i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(2-chlorobenzamide) |
| Authors of publication | Mohamooda Sumaya, U.; Reuben Jonathan, D.; Dravida Thendral, E. R. A.; Revathi, B. K.; Usha, G. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 7 |
| Pages of publication | x161190 |
| a | 4.9667 ± 0.0006 Å |
| b | 23.701 ± 0.003 Å |
| c | 7.1113 ± 0.0008 Å |
| α | 90° |
| β | 104.189 ± 0.004° |
| γ | 90° |
| Cell volume | 811.57 ± 0.17 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 | 0.0735 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1512 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184681 (current) | 2016-07-27 | cif/ hkl/ Adding structures of 1543740 via cif-deposit CGI script. |
1543740.cif 1543740.hkl |
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Users of the data should acknowledge the original authors of the
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