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Information card for entry 4028651
Preview
Coordinates | 4028651.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H10 N4 |
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Calculated formula | C15 H10 N4 |
SMILES | n1c2ccccc2c(n(c1C#N)c1ccccc1)=N |
Title of publication | One-Step Conversion of 2-Amino-N'-arylbenzamidines into 3-Aryl-4-imino-3,4-dihydroquinazoline-2-carbonitriles Using 4,5-Dichloro-1,2,3-dithiazolium Chloride |
Authors of publication | Styliana I. Mirallai; Manolis J. Manos; Panayiotis A. Koutentis |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 9906 - 9913 |
a | 16.3251 ± 0.0004 Å |
b | 6.732 ± 0.0002 Å |
c | 21.6139 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2375.38 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0425 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.1096 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/4028651.html
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Users of the data should acknowledge the original authors of the
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