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Information card for entry 7111201
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| Coordinates | 7111201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,6-hexanediamide |
|---|---|
| Formula | C6 H12 N2 O2 |
| Calculated formula | C6 H12 N2 O2 |
| SMILES | C(=O)(CCCCC(=O)N)N |
| Title of publication | Differential evolution: crystal structure determination of a triclinic polymorph of adipamide from powder diffraction data |
| Authors of publication | Seaton, Colin C.; Tremayne, Maryjane |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 8 |
| Pages of publication | 880 |
| a | 5.1097 ± 0.0002 Å |
| b | 5.5722 ± 0.0002 Å |
| c | 7.0473 ± 0.0003 Å |
| α | 69.575 ± 0.001° |
| β | 87.12 ± 0.003° |
| γ | 75.465 ± 0.003° |
| Cell volume | 181.865 ± 0.013 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| RFsqd | 0.1412 |
| Goodness-of-fit parameter for all reflections | 5.448 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | laboratory |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180226 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12. |
7111201.cif |
| 96347 | 2014-01-29 | cif/ Adding structures of 7111201 via cif-deposit CGI script. |
7111201.cif |
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Users of the data should acknowledge the original authors of the
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