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Information card for entry 7250908
Preview
| Coordinates | 7250908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H23 Cl N2 O2 |
|---|---|
| Calculated formula | C17 H23 Cl N2 O2 |
| Title of publication | Design and synthesis of N-substituted-2-butyl-4-chloro-1H-imidazole derivatives as potential ACE inhibitors: in vitro study, in-silico analysis, and a multifaceted CSD-supported crystallographic investigation |
| Authors of publication | R., Manjunath; Rao, Ashwini; Mahesha,; A. H., Udaya Kumar; Acharya, Sudarshan; Udupa E. G., Padmanabha; Abdul Salam, Abdul Ajees; Hakkimane, Sushruta S.; B. S., Shashikala; N. K., Lokanath; Gaonkar, Santosh L. |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 42 |
| Pages of publication | 35077 - 35098 |
| a | 11.2517 ± 0.0005 Å |
| b | 13.8607 ± 0.0006 Å |
| c | 11.2925 ± 0.0007 Å |
| α | 90° |
| β | 94.92 ± 0.005° |
| γ | 90° |
| Cell volume | 1754.65 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.0646 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1293 |
| Weighted residual factors for all reflections included in the refinement | 0.1382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302256 (current) | 2025-09-25 | cif/ Adding structures of 7250908 via cif-deposit CGI script. |
7250908.cif |
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Users of the data should acknowledge the original authors of the
structural data.