Information card for entry 7201674
| 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 |
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The link is:
https://www.crystallography.net/7201674.html
