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Information card for entry 4031294
Preview
Coordinates | 4031294.cif |
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Original paper (by DOI) | HTML |
Common name | 4-Chloro-N-benzyl-N-ethyl-5-nitro-2-pyrimidinamine |
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Formula | C13 H13 Cl N4 O2 |
Calculated formula | C13 H13 Cl N4 O2 |
Title of publication | Regioselective Control of the SNAr Amination of 5-Substituted-2,4-Dichloropyrimidines Using Tertiary Amine Nucleophiles. |
Authors of publication | Lee, Mijoon; Rucil, Tomas; Hesek, Dusan; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 15 |
Pages of publication | 7757 - 7763 |
a | 15.4117 ± 0.0005 Å |
b | 4.5895 ± 0.0002 Å |
c | 18.8836 ± 0.0006 Å |
α | 90° |
β | 97.085 ± 0.001° |
γ | 90° |
Cell volume | 1325.48 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0477 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4031294.html
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