Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236252
Preview
| Coordinates | 2236252.cif |
|---|---|
| Structure factors | 2236252.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2-Cyclopentylidenehydrazinecarboxamide |
|---|---|
| Formula | C6 H11 N3 O |
| Calculated formula | C6 H11 N3 O |
| SMILES | O=C(NN=C1CCCC1)N |
| Title of publication | 2-Cyclopentylidenehydrazinecarboxamide |
| Authors of publication | Fun, Hoong-Kun; Loh, Wan-Sin; Padaki, Mahesh; Isloor, Arun M.; Isloor, Nishitha A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | o2675 - o2676 |
| a | 8.9507 ± 0.0001 Å |
| b | 10.7929 ± 0.0002 Å |
| c | 15.0204 ± 0.0002 Å |
| α | 90° |
| β | 95.126 ± 0.001° |
| γ | 90° |
| Cell volume | 1445.23 ± 0.04 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0757 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236252.cif 2236252.hkl |
| 181284 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/62. |
2236252.cif 2236252.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236252.cif 2236252.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236252.cif 2236252.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236252.cif 2236252.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236252.cif 2236252.hkl |
| 69821 | 2012-12-21 | cif/ Adding structures of 2236252 via cif-deposit CGI script. |
2236252.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.