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Information card for entry 2239044
Preview
Coordinates | 2239044.cif |
---|---|
Structure factors | 2239044.hkl |
Original IUCr paper | HTML |
Common name | 1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine |
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Chemical name | 1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine |
Formula | C16 H16 N4 O7 |
Calculated formula | C16 H16 N4 O7 |
SMILES | O=N(=O)c1c(N/N=C/c2cc(OC)c(OC)c(OC)c2)ccc(N(=O)=O)c1 |
Title of publication | 1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine |
Authors of publication | Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chidan Kumar, C. S.; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 2 |
Pages of publication | o188 - o189 |
a | 7.4724 ± 0.0004 Å |
b | 14.3106 ± 0.0007 Å |
c | 16.1549 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1727.52 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2239044.html
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