Crystallography Open Database

Information card for entry 2022642

2022641 << 2022642 >> 2022643

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Coordinates	2022642.cif
Structure factors	2022642.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-Dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol
Formula	C15 H12 Cl2 N2 O2
Calculated formula	C15 H12 Cl2 N2 O2
SMILES	Clc1c(/C=N/N=C/c2c(O)c(OC)ccc2)c(Cl)ccc1
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 - 869
a	4.3556 ± 0.0002 Å
b	12.8548 ± 0.0004 Å
c	25.9904 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1455.21 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
276709 (current)	2022-07-07	cif/ hkl/ Adding structures of 2022642 via cif-deposit CGI script.	2022642.cif 2022642.hkl