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Information card for entry 7106182
Preview
| Coordinates | 7106182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | 4,4'-bipyridyl:4-hydroxybenzoic acid co-crystal form 1 |
|---|---|
| Formula | C24 H20 N2 O6 |
| Calculated formula | C24 H20 N2 O6 |
| SMILES | c1(ccc(cc1)C(=O)O)O.C(=O)(c1ccc(cc1)O)O.c1cc(ccn1)c1ccncc1 |
| Title of publication | Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4?-bipyridine4-hydroxybenzoic acid structural landscape |
| Authors of publication | Gautam R. Desiraju; Arijit Mukherjee |
| Journal of publication | Chem.Commun. |
| Year of publication | 2011 |
| Journal volume | 47 |
| Pages of publication | 4090 |
| a | 11.472 ± 0.002 Å |
| b | 24.646 ± 0.005 Å |
| c | 7.111 ± 0.001 Å |
| α | 90° |
| β | 93.28 ± 0.03° |
| γ | 90° |
| Cell volume | 2007.3 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0935 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1486 |
| Weighted residual factors for all reflections included in the refinement | 0.1827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7106182.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7106182.cif |
| 180165 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/61. |
7106182.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7106182.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7106182.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7106182.cif |
| 16804 | 2011-03-28 | ../uploads/cif-deposit/cod/cif Adding structures of 7106182, 7106183, 7106184, 7106185 via cif-deposit CGI script. |
7106182.cif |
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Users of the data should acknowledge the original authors of the
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