Crystallography Open Database

Information card for entry 2244186

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Structure parameters

Chemical name	Dichloridobis(2-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)c1c(cccc1)C)[O]=C(N)c1c(cccc1)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	7.3802 ± 0.0003 Å
b	8.2491 ± 0.0003 Å
c	14.5953 ± 0.0005 Å
α	90°
β	97.852 ± 0.001°
γ	90°
Cell volume	880.23 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.03 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0384
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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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