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Information card for entry 7218810
Preview
| Coordinates | 7218810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-Adamantan-1-yl-4-methyl-benzenesulfonamide |
|---|---|
| Formula | C17 H23 N O2 S |
| Calculated formula | C17 H23 N O2 S |
| SMILES | S(=O)(=O)(NC12CC3CC(C1)CC(C2)C3)c1ccc(cc1)C |
| Title of publication | Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks |
| Authors of publication | Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 753 |
| a | 11.189 ± 0.002 Å |
| b | 6.536 ± 0.0013 Å |
| c | 21.527 ± 0.004 Å |
| α | 90° |
| β | 102.41 ± 0.03° |
| γ | 90° |
| Cell volume | 1537.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0683 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180519 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88. |
7218810.cif |
| 133152 | 2015-03-06 | cif/ Updating files of 7218810, 7218811, 7218812, 7218813, 7218814, 7218815 Original log message: Adding full bibliography for 7218810--7218815.cif. |
7218810.cif |
| 127536 | 2014-11-20 | cif/ Adding structures of 7218810, 7218811, 7218812, 7218813, 7218814, 7218815 via cif-deposit CGI script. |
7218810.cif |
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Users of the data should acknowledge the original authors of the
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