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Information card for entry 7230142
Preview
Coordinates | 7230142.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 N3 O4 |
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Calculated formula | C15 H17 N3 O4 |
SMILES | N(/N=C/c1c(O)c(OC)ccc1)C(=O)c1ccc(N)cc1.O |
Title of publication | Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring |
Authors of publication | Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 13 |
Pages of publication | 1804 |
a | 24.185 ± 0.003 Å |
b | 12.6631 ± 0.0018 Å |
c | 4.7046 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1440.8 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.2087 |
Residual factor for significantly intense reflections | 0.0769 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
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/7230142.html
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Users of the data should acknowledge the original authors of the
structural data.