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Information card for entry 7222831
Preview
| Coordinates | 7222831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H20 Cl2 N2 O4 |
|---|---|
| Calculated formula | C18 H20 Cl2 N2 O4 |
| SMILES | Clc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1.Cl.O |
| Title of publication | The interaction of (7-chloroquinolin-4-yl)-(2,5-dimethoxyphenyl)-amine hydrochloride dihydrate with serum albumin proteins, inputs from spectroscopic, molecular docking and X-ray diffraction studies |
| Authors of publication | Singh, Shailja; Sharma, Kumkum; Awasthi, Satish K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 104 |
| Pages of publication | 85854 |
| a | 7.3283 ± 0.0004 Å |
| b | 9.6448 ± 0.0006 Å |
| c | 13.9704 ± 0.0008 Å |
| α | 83.013 ± 0.005° |
| β | 81.025 ± 0.005° |
| γ | 79.065 ± 0.005° |
| Cell volume | 953.31 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222831.cif |
| 165333 | 2015-10-10 | cif/ Adding structures of 7222831 via cif-deposit CGI script. |
7222831.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.