Crystallography Open Database

Information card for entry 1542477

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Structure parameters

Chemical name	6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate
Formula	C13 H15 Cl4 N3
Calculated formula	C13 H15 Cl4 N3
SMILES	c1(nc(ccc1)C)Nc1[nH+]c(ccc1)C.[Cl-].C(Cl)(Cl)Cl
Title of publication	6-Methyl-2-[(6-methylpyridin-2-yl)amino]pyridinium chloride chloroform monosolvate
Authors of publication	Klass, Michaela; Näther, Christian; Tuczek, Felix
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	1
Pages of publication	x152467
a	7.0474 ± 0.0003 Å
b	9.7775 ± 0.0005 Å
c	12.8695 ± 0.0006 Å
α	71.744 ± 0.003°
β	89.177 ± 0.004°
γ	72.582 ± 0.004°
Cell volume	800.44 ± 0.07 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0464
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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