Crystallography Open Database

Information card for entry 7241737

Preview

Coordinates	7241737.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-Aminoazobenzene;4,4'-Bipyridine
Formula	C22 H19 N5
Calculated formula	C22 H19 N5
SMILES	Nc1ccc(/N=N/c2ccccc2)cc1.n1ccc(cc1)c1ccncc1
Title of publication	Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering
Authors of publication	Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	46
Pages of publication	8045 - 8053
a	7.5794 ± 0.0004 Å
b	5.6975 ± 0.0003 Å
c	21.4258 ± 0.0009 Å
α	90°
β	97.914 ± 0.004°
γ	90°
Cell volume	916.43 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
259731 (current)	2020-12-10	cif/ Adding structures of 7241736, 7241737, 7241738, 7241739, 7241740 via cif-deposit CGI script.	7241737.cif