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Information card for entry 4028399
Preview
Coordinates | 4028399.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H52 Cl4 N4 S2 |
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Calculated formula | C54 H52 Cl4 N4 S2 |
SMILES | s1c(nc(c1Cc1ccccc1Cl)c1ccc(cc1)C(C)(C)C)NCc1c(Cl)cccc1.s1c(NCc2ccccc2Cl)nc(c2ccc(cc2)C(C)(C)C)c1Cc1c(Cl)cccc1 |
Title of publication | Sodium Hydroxide Catalyzed N-Alkylation of (Hetero) Aromatic Primary Amines and N1,C5-Dialkylation of 4-Phenyl-2-aminothiazoles with Benzyl Alcohols |
Authors of publication | Ramachandra Reddy Donthiri; Venkatanarayana Pappula; Darapaneni Chandra Mohan; Hiren H. Gaywala; Subbarayappa Adimurthy |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 6775 - 6781 |
a | 9.663 ± 0.003 Å |
b | 10.404 ± 0.003 Å |
c | 24.867 ± 0.006 Å |
α | 90.607 ± 0.004° |
β | 90.794 ± 0.004° |
γ | 99.582 ± 0.004° |
Cell volume | 2464.6 ± 1.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0752 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.165 |
Weighted residual factors for all reflections included in the refinement | 0.1719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4028399.html
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