Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1502640
Preview
Coordinates | 1502640.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Common name | 4-(2, 4-Dichlorophenyl)-6-(1H-indol-3-yl)-2,2'-bipyridine-5-carbonitrile |
---|---|
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 | Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole |
Authors of publication | Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T. |
Journal of publication | Journal of Combinatorial Chemistry |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 161 |
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 | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502640.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.