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Information card for entry 2100005
Preview
| Coordinates | 2100005.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4-piperidinic acid |
|---|---|
| Chemical name | piperidine-4-carboxylic acid |
| Formula | C6 H11 N O2 |
| Calculated formula | C6 H11 N O2 |
| SMILES | C(=O)(C1CC[NH2+]CC1)[O-] |
| Title of publication | Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid |
| Authors of publication | Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | 96 - 102 |
| a | 10.8548 ± 0.0002 Å |
| b | 9.752 ± 0.0001 Å |
| c | 6.1152 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 647.331 ± 0.017 Å3 |
| Cell temperature | 363 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Goodness-of-fit parameter for all reflections | 2.37 |
| Diffraction radiation wavelength | 0.334971 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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