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Information card for entry 2237090
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| Coordinates | 2237090.cif |
|---|---|
| Structure factors | 2237090.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | Methyl 2-(3-chlorobenzamido)benzoate |
|---|---|
| Formula | C15 H12 Cl N O3 |
| Calculated formula | C15 H12 Cl N O3 |
| SMILES | c1c(cccc1C(=O)Nc1ccccc1C(=O)OC)Cl |
| Title of publication | Methyl 2-(3-chlorobenzamido)benzoate |
| Authors of publication | Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3400 - o3401 |
| a | 25.7464 ± 0.001 Å |
| b | 6.9203 ± 0.0002 Å |
| c | 16.9735 ± 0.0006 Å |
| α | 90° |
| β | 116.045 ± 0.002° |
| γ | 90° |
| Cell volume | 2717.11 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
2237090.cif 2237090.hkl |
| 181292 | 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 2/23/70. |
2237090.cif 2237090.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2237090.cif 2237090.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237090.cif 2237090.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. | 2237090.cif 2237090.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. |
2237090.cif 2237090.hkl |
| 71370 | 2013-01-18 | cif/ Adding structures of 2237090 via cif-deposit CGI script. |
2237090.cif |
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Users of the data should acknowledge the original authors of the
structural data.