Crystallography Open Database

Information card for entry 7240346

Preview

Coordinates	7240346.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol
Chemical name	2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol
Formula	C11 H10 Cl N O2
Calculated formula	C11 H10 Cl N O2
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	4.3139 ± 0.0002 Å
b	25.5732 ± 0.0014 Å
c	9.571 ± 0.0005 Å
α	90°
β	102.074 ± 0.002°
γ	90°
Cell volume	1032.52 ± 0.09 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0624
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
250963 (current)	2020-04-21	cif/ Adding structures of 7240345, 7240346, 7240347 via cif-deposit CGI script.	7240346.cif