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CIF Information Card
Information card for 2013213
2013212 << 2013213 >> 2013214Preview
|
Coordinates |
2013213.cif |
|
Structure factors |
2013213.hkl |
Structure parameters
| Formula | - C8 H7 N O5 S - |
| Calculated formula | - C8 H7 N O5 S - |
| Title of publication | (4-Nitrophenylsulfinyl)acetic acid, a three-dimensional hydrogen-bonded framework built from a combination of two-centre O—H...O and C—H...O hydrogen bonds and a three-centre C—H...(O)~2~ hydrogen bond |
| Authors of publication | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Pages of publication | o124 - o126 |
| a | 13.711 ± 0.0007 Å |
| b | 7.3037 ± 0.0003 Å |
| c | 9.3537 ± 0.0004 Å |
| α | 90° |
| β | 93.088 ± 0.002° |
| γ | 90° |
| Cell volume | 935.33 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |