Crystallography Open Database

Information card for entry 7059004

Preview

Coordinates	7059004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 N4 O2
Calculated formula	C10 H8 N4 O2
Title of publication	New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions
Authors of publication	Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	36
Pages of publication	14355
a	9.217 ± 0.0017 Å
b	16.827 ± 0.003 Å
c	6.6121 ± 0.0013 Å
α	90°
β	109.778 ± 0.004°
γ	90°
Cell volume	965 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0406
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
223418 (current)	2019-11-06	cif/ Adding structures of 7059002, 7059003, 7059004, 7059005, 7059006 via cif-deposit CGI script.	7059004.cif