Crystallography Open Database

Information card for entry 2022641

2022640 << 2022641 >> 2022642

Preview

Coordinates	2022641.cif
Structure factors	2022641.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido[<i>N</i>,<i>N</i>'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']mercury(II)
Formula	C20 H18 Cl2 F2 Hg N4 O2
Calculated formula	C20 H18 Cl2 F2 Hg N4 O2
SMILES	C(=O)(c1ccc(cc1)F)N[N]1=C2CCCCC2=[N]([Hg]1(Cl)Cl)NC(=O)c1ccc(cc1)F
Title of publication	Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities
Authors of publication	OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab
Journal of publication	Acta Crystallographica, Section C: Structural Chemistry
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	476 - 482
a	10.4902 ± 0.0004 Å
b	16.7227 ± 0.0008 Å
c	12.6827 ± 0.0005 Å
α	90°
β	102.769 ± 0.003°
γ	90°
Cell volume	2169.83 ± 0.16 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
276707 (current)	2022-07-07	cif/ hkl/ Adding structures of 2022641 via cif-deposit CGI script.	2022641.cif 2022641.hkl