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Information card for entry 2240409
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| Coordinates | 2240409.cif |
|---|---|
| Structure factors | 2240409.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Benzylamino-4-<i>p</i>-tolyl-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile |
|---|---|
| Formula | C23 H21 N3 |
| Calculated formula | C23 H21 N3 |
| SMILES | c1(c(c(c2c(CCC2)n1)c1ccc(cc1)C)C#N)NCc1ccccc1 |
| Title of publication | Crystal structure of 2-benzylamino-4-<i>p</i>-tolyl-6,7-dihydro-5<i>H</i>-cyclopenta[<i>b</i>]pyridine-3-carbonitrile |
| Authors of publication | Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 192 - 194 |
| a | 8.6826 ± 0.0004 Å |
| b | 17.7282 ± 0.0009 Å |
| c | 12.04 ± 0.0006 Å |
| α | 90° |
| β | 94.253 ± 0.002° |
| γ | 90° |
| Cell volume | 1848.18 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0943 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1612 |
| Weighted residual factors for all reflections included in the refinement | 0.1918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| 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 |
2240409.cif 2240409.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. |
2240409.cif 2240409.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. |
2240409.cif 2240409.hkl |
| 130069 | 2015-01-23 | cif/ hkl/ Adding structures of 2240409 via cif-deposit CGI script. |
2240409.cif 2240409.hkl |
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Users of the data should acknowledge the original authors of the
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