Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160566
Preview
| Coordinates | 7160566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3l |
|---|---|
| Chemical name | 2-(4-methoxyphenyl)-5-phenyl-5,6-dihydropyrazolo[1,5-c]quinazoline |
| Formula | C23 H19 N3 O |
| Calculated formula | C23 H19 N3 O |
| Title of publication | Transition metal-free one-pot tandem chemoselective reduction and cyclization of 3/5-(2-nitrophenyl)-1<i>H</i>-pyrazoles using sodium dithionite. |
| Authors of publication | Srikanth, Danaboina; Shejul, Gayatri Diliprao; Joshi, Swanand Vinayak; Kalam, Abdul; Jahnavi, Avvaru Subha; Dikundwar, Amol G.; Chopra, Sidharth; Yaddanapudi, Madhavi Venkata; Nanduri, Srinivas |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 5812 - 5820 |
| a | 11.516 ± 0.001 Å |
| b | 13.0682 ± 0.0012 Å |
| c | 13.6833 ± 0.0014 Å |
| α | 71.107 ± 0.003° |
| β | 77.855 ± 0.003° |
| γ | 71.037 ± 0.003° |
| Cell volume | 1829.8 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| 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 |
|---|---|---|---|
| 301082 (current) | 2025-07-06 | cif/ Updating files of 7160566 Original log message: Adding full bibliography for 7160566.cif. |
7160566.cif |
| 299837 | 2025-05-28 | cif/ Adding structures of 7160566 via cif-deposit CGI script. |
7160566.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.