Crystallography Open Database

Information card for entry 2311295

Preview

Coordinates	2311295.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-(4-Chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2<i>H</i>)-one
Formula	C14 H14 Cl N3 O2
Calculated formula	C14 H14 Cl N3 O2
SMILES	Clc1ccc(cc1)c1c(=O)[nH]nc(N2CCOCC2)c1
Title of publication	Crystal structure of 4-(4-chloro-phen-yl)-6-(morpholin-4-yl)pyridazin-3(2H)-one.
Authors of publication	Aydın, Abdullah; Akkurt, Mehmet; Şüküroğlu, Murat; Büyükgüngör, Orhan
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2015
Journal volume	71
Journal issue	Pt 8
Pages of publication	944 - 946
a	13.0977 ± 0.0009 Å
b	7.4932 ± 0.0004 Å
c	14.1123 ± 0.0009 Å
α	90°
β	90.149 ± 0.005°
γ	90°
Cell volume	1385.03 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
245767 (current)	2019-12-25	cif/ Adding structures of 2311295 via cif-deposit CGI script.	2311295.cif