Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 6000201
Preview
| Coordinates | 6000201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-iodo-benzenemethanol |
|---|---|
| Formula | C7 H7 I O |
| Calculated formula | C7 H7 I O |
| Title of publication | Crystal structure determination of a series of small organic compounds from powder data |
| Authors of publication | Goubitz, K.; Sonneveld, E. J.; Schenk, H. |
| Journal of publication | Zeitschrift für Kristallographie |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 176 - 181 |
| a | 13.23 ± 0.01 Å |
| b | 4.652 ± 0.003 Å |
| c | 12.82 ± 0.01 Å |
| α | 90° |
| β | 109.69 ± 0.04° |
| γ | 90° |
| Cell volume | 742.89 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301845 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 6/ Each referenced PubChem compound corresponds to the full crystal structure. |
6000201.cif |
| 288353 | 2023-12-15 | cif/6/00/02/ (antanas@oposumas) Changed the z coordinate of atom site 'I1' in entry 6000201 from '-0.21070(10' to '-0.21070(10)'. The same malformed value is also provided in the original publication, therefore a warning message detailing this change was also added. |
6000201.cif |
| 288314 | 2023-12-14 | cif/ Updated bibliography in entries 6000199-6000202, 8103500. |
6000201.cif |
| 201920 | 2017-10-12 | cif/ (antanas@kurmis) Updating space group information and adding the list of symmetry operations in entries 6000199, 6000200, 6000201, 6000202, 8103500. |
6000201.cif |
| 201919 | 2017-10-12 | cif/ (antanas@kurmis) Adding standard uncertainty values to cell constants in entries 6000199, 6000200, 6000201, 6000201, 6000202, 8103500. |
6000201.cif |
| 188515 | 2016-11-16 | cif/6/00 Marking attached hydrogen atoms in range 6/00. |
6000201.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000201.cif |
| 132373 | 2015-02-24 | Correcting Z to previous cifs | 6000201.cif |
| 132370 | 2015-02-24 | Added missing Z to previous cifs | 6000201.cif |
| 132368 | 2015-02-24 | Updated and corrected the other entries for article of Gouditz et al., Z. Krist. 2001; one added via the interface as missing | 6000201.cif |
| 103181 | 2014-02-26 | cif/6/ (antanas@lokys.ibt.lt) Adding volume number and doi. |
6000201.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000201.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
6000201.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000201.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.