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Information card for entry 1518962
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| Coordinates | 1518962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tolfenamic acid and 4,4'-Bipyridine complex |
|---|---|
| Chemical name | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid and4,4'bipyridine complex |
| Formula | C19 H16 Cl N2 O2 |
| Calculated formula | C19 H16 Cl N2 O2 |
| Title of publication | Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives |
| Authors of publication | Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 3610 |
| a | 4.7081 ± 0.0002 Å |
| b | 45.2195 ± 0.0014 Å |
| c | 7.9188 ± 0.0003 Å |
| α | 90° |
| β | 106.896 ± 0.005° |
| γ | 90° |
| Cell volume | 1613.12 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0758 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518962.cif |
| 138557 | 2015-06-07 | cif/ Updating files of 1518960, 1518961, 1518962 Original log message: Adding full bibliography for 1518960--1518962.cif. |
1518962.cif |
| 134600 | 2015-04-02 | cif/ Adding structures of 1518960, 1518961, 1518962 via cif-deposit CGI script. |
1518962.cif |
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Users of the data should acknowledge the original authors of the
structural data.