Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238747
Preview
| Coordinates | 7238747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (2-Amino-3-cyano-4H-chromene-4-yl)malononitrile |
|---|---|
| Formula | C13 H8 N4 O |
| Calculated formula | C13 H8 N4 O |
| Title of publication | Condensation of malononitrile with salicylaldehydes and o-aminobenzaldehydes revisited: solvent and catalyst free synthesis of 4H-chromenes and quinolines |
| Authors of publication | Bhat, Subrahmanya Ishwar; Choudhury, Angshuman Roy; Trivedi, Darshak R. |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 28 |
| Pages of publication | 10556 |
| a | 5.6073 ± 0.0008 Å |
| b | 8.1748 ± 0.0011 Å |
| c | 12.5 ± 0.0017 Å |
| α | 103.057 ± 0.007° |
| β | 90.883 ± 0.008° |
| γ | 96.555 ± 0.008° |
| Cell volume | 554.02 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0586 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1463 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238747.cif |
| 244328 | 2019-11-28 | cif/ Adding structures of 7238747 via cif-deposit CGI script. |
7238747.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.