Crystallography Open Database

Information card for entry 2311530

Preview

Coordinates	2311530.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-[(1<i>E</i>)-({1-(3-Chlorophenyl)-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol
Formula	C23 H21 Cl N2 O2
Calculated formula	C23 H21 Cl N2 O2
SMILES	Clc1cccc([C@H](/N=C/c2c(O)cccc2)[C@@H](/N=C/c2ccccc2O)C)c1
Title of publication	Crystal structures of salen-type ligands 2-[(1<i>E</i>)-({1-(3-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1<i>E</i>)-({1-(4-chloro-phen-yl)-2-[(<i>E</i>)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.
Authors of publication	Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1878 - 1881
a	12.8126 ± 0.0007 Å
b	7.0224 ± 0.0003 Å
c	12.8169 ± 0.0006 Å
α	90°
β	117.207 ± 0.003°
γ	90°
Cell volume	1025.61 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
245961 (current)	2019-12-25	cif/ Adding structures of 2311530, 2311531 via cif-deposit CGI script.	2311530.cif