Crystallography Open Database

Information card for entry 2243967

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Structure parameters

Chemical name	6-((<i>E</i>)-2-{4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one
Formula	C20 H17 Cl N2 O3
Calculated formula	C20 H17 Cl N2 O3
SMILES	Clc1ccc(C(=O)COc2ccc(/C=C/C3=NNC(=O)CC3)cc2)cc1
Title of publication	Crystal structure and Hirshfeld surface analysis of 6-((<i>E</i>)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one
Authors of publication	Daoui, Said; Muwafaq, Israa; Çınar, Emine Berrin; Abudunia, Abdulmalik; Dege, Necmi; Benchat, Noureddine; Karrouchi, Khalid
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	1
Pages of publication	8 - 11
a	7.3514 ± 0.0004 Å
b	11.5539 ± 0.0007 Å
c	41.397 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3516.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1208
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
271672 (current)	2022-01-01	cif/ hkl/ Adding structures of 2243967 via cif-deposit CGI script.	2243967.cif 2243967.hkl