Crystallography Open Database

Information card for entry 7212232

Preview

Coordinates	7212232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 N4
Calculated formula	C11 H10 N4
SMILES	n1ccccc1N/C=N/c1ncccc1
Title of publication	Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer
Authors of publication	Petitjean, Anne; Xing, Liyan; Wang, Ruiyao
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1397
a	10.9881 ± 0.0019 Å
b	4.3351 ± 0.0007 Å
c	20.561 ± 0.004 Å
α	90°
β	98.561 ± 0.003°
γ	90°
Cell volume	968.5 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
180453 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/22.	7212232.cif
92751	2014-01-12	cif/ Adding structures of 7212232, 7212233 via cif-deposit CGI script.	7212232.cif