Crystallography Open Database

Information card for entry 1545682

Preview

Coordinates	1545682.cif
Original IUCr paper	HTML

Structure parameters

Common name	((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide
Chemical name	((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide
Formula	C14 H10 Cl2 N2 O2
Calculated formula	C14 H10 Cl2 N2 O2
SMILES	Clc1c(O)c(/C=N/c2ccc(C(=O)N)cc2)cc(Cl)c1
Title of publication	Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals
Authors of publication	Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini
Journal of publication	IUCrJ
Year of publication	2017
Journal volume	4
Journal issue	3
a	7.2798 ± 0.0009 Å
b	13.2794 ± 0.0015 Å
c	14.5473 ± 0.0009 Å
α	87.618 ± 0.007°
β	80.816 ± 0.007°
γ	75.707 ± 0.01°
Cell volume	1345.3 ± 0.2 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	0.1063
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.2179
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195194 (current)	2017-04-05	cif/ Adding structures of 1545680, 1545681, 1545682, 1545683, 1545684, 1545685 via cif-deposit CGI script.	1545682.cif