Crystallography Open Database

Information card for entry 2240667

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Structure parameters

Chemical name	2,2'-Bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide
Formula	C19 H14 N6 O
Calculated formula	C19 H14 N6 O
Title of publication	Crystal structures of 2,2'-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2'-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide
Authors of publication	Setifi, Zouaoui; Valkonen, Arto; Fernandes, Manuel A.; Nummelin, Sami; Boughzala, Habib; Setifi, Fatima; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	5
Pages of publication	509 - 515
a	7.2514 ± 0.0001 Å
b	10.6647 ± 0.0002 Å
c	11.5619 ± 0.0002 Å
α	100.02 ± 0.001°
β	104.372 ± 0.001°
γ	92.59 ± 0.001°
Cell volume	849.27 ± 0.03 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181906 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06	2240667.cif 2240667.hkl
136450	2015-05-13	cif/ hkl/ Adding structures of 2240667, 2240668 via cif-deposit CGI script.	2240667.cif 2240667.hkl