Crystallography Open Database

Information card for entry 2022179

2022178 << 2022179 >> 2022180

Preview

Coordinates	2022179.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-4,4'-(Ethene-1,2-diyl)bis[(<i>N</i>'<i>E</i>)-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide] dimethyl sulfoxide disolvate
Formula	C34 H36 N4 O6 S2
Calculated formula	C34 H36 N4 O6 S2
SMILES	c1(/C=N/NC(=O)c2ccc(cc2)/C=C/c2ccc(C(=O)N/N=C/c3c(cccc3)O)cc2)c(O)cccc1.CS(C)=O.CS(C)=O
Title of publication	Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration
Authors of publication	Fang, Zong-Bin; Zhang, Bin; Yang, Qi-Zheng; Zheng, Wenxu; Hu, Xiao-Lin; Huang, Xi-He; Huang, Chang-Cang; Zhuang, Nai-Feng; Wu, Shu-Ting
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	8
a	4.7581 ± 0.0006 Å
b	18.599 ± 0.002 Å
c	18.266 ± 0.002 Å
α	90°
β	92.409 ± 0.005°
γ	90°
Cell volume	1615 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1112
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254054 (current)	2020-07-07	cif/ hkl/ Adding structures of 2022179 via cif-deposit CGI script.	2022179.cif