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Information card for entry 7217852
Preview
Coordinates | 7217852.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H17 Cl N4 O5 |
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Calculated formula | C14 H17 Cl N4 O5 |
SMILES | ClCC(O)Cn1c(N(=O)=O)cnc1C.OC(=O)c1ccc(N)cc1 |
Title of publication | Effect of inductive effect on the formation of cocrystals and eutectics |
Authors of publication | Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 42 |
Pages of publication | 9930 |
a | 7.1364 ± 0.0004 Å |
b | 14.89 ± 0.0009 Å |
c | 14.839 ± 0.0007 Å |
α | 90° |
β | 91.636 ± 0.005° |
γ | 90° |
Cell volume | 1576.16 ± 0.15 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.069 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7217852.html
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