Crystallography Open Database

Information card for entry 2022530

2022529 << 2022530 >> 2022531

Preview

Coordinates	2022530.cif
Structure factors	2022530.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-acetato-1:2κ^4^<i>O</i>:<i>O</i>'-(μ-2-acetyl-6-{[(<i>Z</i>)-2-bromo-3-oxoprop-1-en-1-yl]azanidyl}phenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^6^)(<i>N</i>,<i>N</i>-dimethyl-acetamide-1κ<i>O</i>)dizinc(II)
Formula	C19 H23 Br N2 O8 Zn2
Calculated formula	C19 H23 Br N2 O8 Zn2
SMILES	[Zn]123([O]4[Zn]5(OC=C(Br)C=[N]5c5cccc(c45)C(=[O]1)C)([O]=C(O2)C)OC(=[O]3)C)[O]=C(N(C)C)C
Title of publication	Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex
Authors of publication	Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	2
a	8.03 ± 0.0005 Å
b	10.1184 ± 0.001 Å
c	14.4723 ± 0.0014 Å
α	87.217 ± 0.008°
β	89.232 ± 0.007°
γ	83.518 ± 0.007°
Cell volume	1166.95 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
272309 (current)	2022-01-28	cif/ hkl/ Adding structures of 2022529, 2022530 via cif-deposit CGI script.	2022530.cif 2022530.hkl