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Information card for entry 7240597
Preview
| Coordinates | 7240597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 N4 O2 S |
|---|---|
| Calculated formula | C21 H18 N4 O2 S |
| SMILES | S=C(NC(=O)c1ccccc1)Nc1ccc(cc1)c1nc2c([nH]1)cccc2.O |
| Title of publication | Synthesis, X-ray crystal structure elucidation and Hirshfeld surface analysis of N-((4-(1H-benzo[d]imidazole-2-yl)phenyl)carbamothioyl)benzamide: investigations for elastase inhibition, antioxidant and DNA binding potentials for biological applications |
| Authors of publication | Arshad, Nasima; Rafiq, Mamoona; Ujan, Rabail; Saeed, Aamer; Farooqi, Shahid I.; Perveen, Fouzia; Channar, Pervaiz Ali; Ashraf, Saba; Abbas, Qamar; Ahmed, Ashfaq; Hokelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 35 |
| Pages of publication | 20837 - 20851 |
| a | 6.9104 ± 0.0003 Å |
| b | 19.6432 ± 0.0007 Å |
| c | 14.0505 ± 0.0005 Å |
| α | 90° |
| β | 100.235 ± 0.004° |
| γ | 90° |
| Cell volume | 1876.9 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258125 (current) | 2020-10-06 | cif/ Updating files of 7240597 Original log message: Adding full bibliography for 7240597.cif. |
7240597.cif |
| 252567 | 2020-06-03 | cif/ Adding structures of 7240597 via cif-deposit CGI script. |
7240597.cif |
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Users of the data should acknowledge the original authors of the
structural data.