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Information card for entry 7242360
Preview
| Coordinates | 7242360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | pyrazolo[3,4-c]pyrazole |
|---|---|
| Formula | C19 H18 N4 O2 |
| Calculated formula | C19 H18 N4 O2 |
| SMILES | c1(c2c(n(C)n1)n(c1ccc(cc1)OC)nc2)c1ccc(cc1)OC |
| Title of publication | Access and modulation of substituted 1-methyl-1,6-dihydropyrazolo[3,4-c]pyrazoles |
| Authors of publication | Ostache, Nicu-Cosmin; Hiebel, Marie-Aude; Fînaru, Adriana-LuminiĊ£a; Allouchi, Hassan; Guillaumet, Gérald; Suzenet, Franck |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 16 |
| Pages of publication | 9756 - 9765 |
| a | 7.3904 ± 0.0008 Å |
| b | 19.8941 ± 0.0014 Å |
| c | 11.3675 ± 0.0011 Å |
| α | 90° |
| β | 90.409 ± 0.009° |
| γ | 90° |
| Cell volume | 1671.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1309 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242360.cif |
| 262790 | 2021-03-06 | cif/ Adding structures of 7242360 via cif-deposit CGI script. |
7242360.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.