Information card for entry 2233299
Chemical name |
1,2-Bis[(1,3-benzodioxol-5-yl)methylidene]hydrazine |
Formula |
C16 H12 N2 O4 |
Calculated formula |
C16 H12 N2 O4 |
SMILES |
N(=C\c1ccc2c(c1)OCO2)/N=C/c1ccc2c(c1)OCO2 |
Title of publication |
1,2-Bis[(1,3-benzodioxol-5-yl)methylidene]hydrazine |
Authors of publication |
Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Narayana, B.; Yathirajan, H. S. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o7 |
a |
6.1835 ± 0.0002 Å |
b |
4.597 ± 0.0002 Å |
c |
23.8487 ± 0.001 Å |
α |
90° |
β |
96.08 ± 0.004° |
γ |
90° |
Cell volume |
674.1 ± 0.05 Å3 |
Cell temperature |
170 ± 2 K |
Ambient diffraction temperature |
170 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0552 |
Residual factor for significantly intense reflections |
0.0427 |
Weighted residual factors for significantly intense reflections |
0.1103 |
Weighted residual factors for all reflections included in the refinement |
0.1183 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2233299.html