Crystallography Open Database

Information card for entry 7240816

Preview

Coordinates	7240816.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline
Chemical name	N-(4?-chlorosalicylidene)-4-chloroaniline
Formula	C13 H9 Cl2 N O
Calculated formula	C13 H9 Cl2 N O
Title of publication	Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers
Authors of publication	Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko
Journal of publication	CrystEngComm
Year of publication	2020
a	6.14 ± 0.005 Å
b	6.848 ± 0.006 Å
c	27.39 ± 0.02 Å
α	90°
β	95.26 ± 0.02°
γ	90°
Cell volume	1146.8 ± 1.6 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253704 (current)	2020-07-04	cif/ Adding structures of 7240815, 7240816, 7240817 via cif-deposit CGI script.	7240816.cif