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Information card for entry 2311826
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Coordinates | 2311826.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | <i>N</i>-(4-Chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide |
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Formula | C15 H12 Cl3 N O |
Calculated formula | C15 H12 Cl3 N O |
SMILES | C(=O)(Nc1cc(c(Cl)cc1)C)Cc1c(Cl)cc(Cl)cc1 |
Title of publication | Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly. |
Authors of publication | Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | Pt 9 |
Pages of publication | 889 - 894 |
a | 11.8441 ± 0.0007 Å |
b | 4.7288 ± 0.0003 Å |
c | 13.0981 ± 0.0007 Å |
α | 90° |
β | 101.31 ± 0.006° |
γ | 90° |
Cell volume | 719.36 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.069 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1433 |
Weighted residual factors for all reflections included in the refinement | 0.155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2311826.html
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