Crystallography Open Database

Information card for entry 3500174

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Coordinates	3500174.cif

Structure parameters

Chemical name	2,6-dicyanotoluene
Formula	C9 H6 N2
Calculated formula	C9 H6 N2
Title of publication	2,6-dicyantoluene C9H6N2
Authors of publication	Armel Le Bail
Journal of publication	Personal communication to COD
Year of publication	2026
a	7.6805 ± 0.001 Å
b	9.0273 ± 0.0009 Å
c	6.365 ± 0.0007 Å
α	86.313 ± 0.006°
β	117.341 ± 0.008°
γ	87.916 ± 0.007°
Cell volume	390.12 ± 0.08 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor R(I) for significantly intense reflections	4.4383
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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