Crystallography Open Database

Information card for entry 1549520

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Structure parameters

Chemical name	4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine
Formula	C19 H19 N3 O3
Calculated formula	C19 H19 N3 O3
SMILES	c1(nc(cc(n1)c1cc(cc(c1)OC)OC)c1c(cccc1)OC)N
Title of publication	4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine
Authors of publication	Koh, Dongsoo; Lee, Ji Hye
Journal of publication	IUCrData
Year of publication	2018
Journal volume	3
Journal issue	6
Pages of publication	x180796
a	7.5867 ± 0.0007 Å
b	10.268 ± 0.0007 Å
c	11.4684 ± 0.0008 Å
α	95.592 ± 0.004°
β	102.147 ± 0.004°
γ	109.987 ± 0.003°
Cell volume	806.72 ± 0.11 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0839
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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