Crystallography Open Database

Information card for entry 7062094

7062093 << 7062094 >> 7062095

Preview

Coordinates	7062094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Cl2 N3 O4
Calculated formula	C20 H17 Cl2 N3 O4
SMILES	C(C(=O)OCC)(c1ccc(cc1Cl)Cl)N/C(=N/N1C(=O)c2c(C1=O)cccc2)C
Title of publication	A solvent controlled three-component reaction of diazo compounds for the synthesis of hydrazone compounds under Brønsted acid catalysis
Authors of publication	He, Hangli; Yan, Zhewei; Wang, Junyong; Yan, Qiongjiao; Wang, Wei; Wang, Haifeng; Chen, Fener
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	47
Pages of publication	22513 - 22517
a	11.74 Å
b	19.007 Å
c	8.976 Å
α	90°
β	95.31°
γ	90°
Cell volume	1994.33 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1256
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280198 (current)	2023-01-06	cif/ Updating files of 7062093, 7062094 Original log message: Adding full bibliography for 7062093--7062094.cif.	7062094.cif
279521	2022-11-24	cif/ Adding structures of 7062093, 7062094 via cif-deposit CGI script.	7062094.cif