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Information card for entry 8102204
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| Coordinates | 8102204.cif |
|---|---|
| External links | ChemSpider; PubChem |
| Chemical name | N-benzylsalicylamide |
|---|---|
| Formula | C14 H13 N O2 |
| Calculated formula | C14 H13 N O2 |
| SMILES | Oc1c(cccc1)C(=O)NCc1ccccc1 |
| Title of publication | Crystal structure of N-benzylsalicylamide, C~14~H~13~NO~2~ |
| Authors of publication | Liu, Sheng-Li; Liang, En-Xiang; Yu, Liang-Cai; Huang, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 4 |
| Pages of publication | 433 - 434 |
| a | 12.457 ± 0.003 Å |
| b | 8.351 ± 0.002 Å |
| c | 12.584 ± 0.003 Å |
| α | 90° |
| β | 118.296 ± 0.011° |
| γ | 90° |
| Cell volume | 1152.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| 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 |
| Residual factor for all reflections | 0.2106 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102204.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102204.cif |
| 176728 | 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 8. |
8102204.cif |
| 108390 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102204.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102204.cif |
| 12943 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102204 via cif-deposit CGI script. |
8102204.cif |
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Users of the data should acknowledge the original authors of the
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