Crystallography Open Database

Information card for entry 8106624

Preview

Coordinates	8106624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O3
Calculated formula	C16 H17 N O3
SMILES	Oc1c(cccc1)CNc1ccc(C(=O)OCC)cc1
Title of publication	The crystal structure of ethyl 4-((2-hydroxybenzyl)amino)benzoate, a Schiff base, C16H17NO3
Authors of publication	Salman, Mahmoud; Abu-Yamin, Abdel Aziz; Sarairah, Ibrahim; Ibrahim, Alhawarin; AlDamen, Murad A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	631 - 632
a	7.5445 ± 0.0007 Å
b	8.3326 ± 0.0009 Å
c	12.4291 ± 0.001 Å
α	94.468 ± 0.008°
β	91.063 ± 0.007°
γ	116.644 ± 0.01°
Cell volume	695.01 ± 0.13 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
280668 (current)	2023-01-30	cif/ Adding structures of 8106624 via cif-deposit CGI script.	8106624.cif