Crystallography Open Database

Information card for entry 7241697

Preview

Coordinates	7241697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N4 O2 S2
Calculated formula	C22 H26 N4 O2 S2
SMILES	S(SN(/N=C/c1ccc(cc1)CC)C(=O)C)N(/N=C/c1ccc(cc1)CC)C(=O)C
Title of publication	The synthesis of N,N′-disulfanediyl-bis(N′-((E)-benzylidene)acetohydrazide) from (E)-N′-benzylideneacetohydrazide and S8
Authors of publication	Liu, Hong-Yan; Chen, Yu; Hao, Li-Qiang; Wang, Guo-Dong; Li, Hong-Shuang; Xia, Cheng-Cai
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	67
Pages of publication	41041 - 41046
a	10.094 ± 0.005 Å
b	11.277 ± 0.005 Å
c	11.815 ± 0.005 Å
α	99.224 ± 0.008°
β	106.772 ± 0.007°
γ	111.122 ± 0.007°
Cell volume	1147.4 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
259597 (current)	2020-12-06	cif/ Adding structures of 7241697 via cif-deposit CGI script.	7241697.cif