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Information card for entry 7201674
Preview
| Coordinates | 7201674.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide |
|---|---|
| Chemical name | 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide |
| Formula | C16 H15 N O |
| Calculated formula | C16 H15 N O |
| SMILES | O=C(N)C1c2ccccc2CCc2ccccc12 |
| Title of publication | A catemer-to-dimer structural transformation in cyheptamide |
| Authors of publication | Florence, A. J.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.; Leech, C. K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 1 |
| Pages of publication | 26 |
| a | 5.6491 ± 0.0001 Å |
| b | 19.5639 ± 0.0004 Å |
| c | 22.0741 ± 0.0005 Å |
| α | 84.2178 ± 0.0013° |
| β | 88.4073 ± 0.0014° |
| γ | 83.6001 ± 0.0013° |
| Cell volume | 2411.72 ± 0.09 Å3 |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 2.05 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7201674.cif |
| 180347 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/16. |
7201674.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201674.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201674.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201674.cif |
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Users of the data should acknowledge the original authors of the
structural data.