Crystallography Open Database

Information card for entry 2022643

2022642 << 2022643 >> 2022644

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Structure parameters

Chemical name	4-Bromo-2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol
Formula	C14 H9 Br Cl2 N2 O
Calculated formula	C14 H9 Br Cl2 N2 O
SMILES	Brc1ccc(O)c(c1)/C=N/N=C/c1c(Cl)cccc1Cl
Title of publication	Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol
Authors of publication	Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica, Section E: Crystallographic Communications
Year of publication	2020
Journal volume	76
Journal issue	6
Pages of publication	862
a	16.451 ± 0.0012 Å
b	4.4314 ± 0.0003 Å
c	20.0523 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1461.83 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
276710 (current)	2022-07-07	cif/ hkl/ Adding structures of 2022643 via cif-deposit CGI script.	2022643.cif 2022643.hkl