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Information card for entry 2240488
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| Coordinates | 2240488.cif |
|---|---|
| Structure factors | 2240488.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>-[(2-Hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide |
|---|---|
| Formula | C20 H19 N O2 |
| Calculated formula | C20 H19 N O2 |
| SMILES | C(c1ccc(C)cc1)(c1c(ccc2c1cccc2)O)NC(=O)C |
| Title of publication | Crystal structure of <i>N</i>-[(2-hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide |
| Authors of publication | Khanapure, Sharanbasappa; Rashinkar, Gajanan; Chhowala, Tarulata; Anthal, Sumati; Kant, Rajni |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | o235 |
| a | 10.4324 ± 0.0004 Å |
| b | 14.0786 ± 0.0005 Å |
| c | 11.0356 ± 0.0004 Å |
| α | 90° |
| β | 98.741 ± 0.002° |
| γ | 90° |
| Cell volume | 1602.01 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0495 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240488.cif 2240488.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240488.cif 2240488.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240488.cif 2240488.hkl |
| 134009 | 2015-03-18 | cif/ hkl/ Adding structures of 2240488 via cif-deposit CGI script. |
2240488.cif 2240488.hkl |
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Users of the data should acknowledge the original authors of the
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