Crystallography Open Database





Information card for 2017041

2017040 << 2017041 >> 2017042

Preview

To alter the display settings, right click on the Jmol display.
Several types of unit cells can be loaded under the symmetry submenu.


Coordinates

2017041.cif

Structure factors

2017041.hkl

Original IUCr paper

HTML

Structure parameters

Chemical name 4-(1-{[4-(dimethylamino)benzylidene]hydrazono}ethyl)benzene-1,3-diol‒ 6-[(<i>E</i>)-1-{[4-(dimethylamino)benzylidene]hydrazino}ethylidene]-3- hydroxycyclohexa-2,4-dien-1-one (1/1)
Formula - C34 H38 N6 O4 -
Calculated formula - C34 H38 N6 O4 -
Title of publication Cocrystallization of two tautomers: 4-(1-{[4-(dimethylamino)benzylidene]hydrazono}ethyl)benzene-1,3-diol and 6-[(<i>E</i>)-1-{[4-(dimethylamino)benzylidene]hydrazino}ethylidene]-3-hydroxycyclohexa-2,4-dien-1-one (1/1)
Authors of publication Wu, Zhen-Hua; Ma, Jian-Ping; Wu, Xiang-Wen; Huang, Ru-Qi; Dong, Yu-Bin
Journal of publication Acta Crystallographica Section C
Year of publication 2009
Journal volume 65
Journal issue 4
Pages of publication o128 - o130
a 11.872 ± 0.003 Å
b 9.63 ± 0.002 Å
c 28.441 ± 0.007 Å
α 90°
β 71.932 ± 0.004°
γ 90°
Cell volume 3091.2 ± 1.3 Å3
Cell temperature 298 ± 2 K
Ambient diffraction temperature 298 ± 2 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Residual factor for all reflections 0.0931
Residual factor for observed reflections 0.0518
Weighted residual factors for the observed reflections 0.1179
Weighted residual factors for all reflections included in the refinement 0.1367
Goodness-of-fit parameter for observed reflections 1.024
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs Yes

Top of the page