Crystallography Open Database

Information card for entry 2244188

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Structure parameters

Chemical name	Dichloridobis(4-methylbenzamide-κ<i>O</i>)zinc(II)
Formula	C16 H18 Cl2 N2 O2 Zn
Calculated formula	C16 H18 Cl2 N2 O2 Zn
SMILES	[Zn](Cl)(Cl)([O]=C(N)c1ccc(cc1)C)[O]=C(N)c1ccc(cc1)C
Title of publication	Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride
Authors of publication	Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	9
Pages of publication	880 - 886
a	6.8376 ± 0.0004 Å
b	17.2694 ± 0.0009 Å
c	14.9856 ± 0.0007 Å
α	90°
β	96.893 ± 0.002°
γ	90°
Cell volume	1756.73 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
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	0.0476
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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