Crystallography Open Database

Information card for entry 7240347

Preview

Coordinates	7240347.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	aminoquinolina
Chemical name	2-((7-chloroquinolin-4-yl)amino)ethanol
Formula	C11 H11 Cl N2 O
Calculated formula	C11 H11 Cl N2 O
SMILES	Clc1cc2nccc(NCCO)c2cc1
Title of publication	Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines
Authors of publication	Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.
Journal of publication	CrystEngComm
Year of publication	2020
a	4.5838 ± 0.0002 Å
b	14.8986 ± 0.0007 Å
c	14.9416 ± 0.0007 Å
α	90°
β	93.484 ± 0.001°
γ	90°
Cell volume	1018.51 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
250963 (current)	2020-04-21	cif/ Adding structures of 7240345, 7240346, 7240347 via cif-deposit CGI script.	7240347.cif