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Information card for entry 2221596
Preview
Coordinates | 2221596.cif |
---|---|
Structure factors | 2221596.hkl |
Original IUCr paper | HTML |
Common name | 4-(2, 4-Dichlorophenyl)-6-(1H-indol-3-yl)-2,2'-bipyridine-5-carbonitrile |
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Chemical name | 4-(2, 4-Dichlorophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile |
Formula | C25 H14 Cl2 N4 |
Calculated formula | C25 H14 Cl2 N4 |
SMILES | Clc1c(c2c(c(nc(c2)c2ccccn2)c2c3ccccc3[nH]c2)C#N)ccc(Cl)c1 |
Title of publication | 4-(2,4-Dichlorophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile |
Authors of publication | Ramesh, P.; Sundaresan, S. S.; Thirumurugan, P.; Perumal, Paramasivan T.; Ponnuswamy, M. N. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 5 |
Pages of publication | o996 - o997 |
a | 10.0307 ± 0.0012 Å |
b | 22.446 ± 0.003 Å |
c | 17.932 ± 0.003 Å |
α | 90° |
β | 90.991 ± 0.004° |
γ | 90° |
Cell volume | 4036.8 ± 1 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2221596.html
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