Crystallography Open Database

Information card for entry 7155097

Preview

Coordinates	7155097.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hydrazine 4ab
Chemical name	diethyl 1-(1-chloroethanesulfonyl)-2-(4-nitrobenzoyl)hydrazine-1,2-dicarboxylate
Formula	C15 H18 Cl N3 O9 S
Calculated formula	C15 H18 Cl N3 O9 S
Title of publication	Tertiary amine-catalyzed and direct synthesis of α-chloroalkanesulfonylhydrazines from azodicarboxylates and sulfonyl chlorides.
Authors of publication	Zhou, Bingnan; Xu, Jiaxi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	21
Pages of publication	4918 - 4926
a	12.454 ± 0.0009 Å
b	10.0078 ± 0.0003 Å
c	16.746 ± 0.0008 Å
α	90°
β	109.346 ± 0.008°
γ	90°
Cell volume	1969.3 ± 0.2 Å³
Cell temperature	106.1 K
Ambient diffraction temperature	106.1 K
Number of distinct elements	6
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	0.0692
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
183775 (current)	2016-06-18	cif/ Updating files of 7155097 Original log message: Adding full bibliography for 7155097.cif.	7155097.cif
182369	2016-04-28	cif/ Adding structures of 7155097 via cif-deposit CGI script.	7155097.cif