Crystallography Open Database

Information card for entry 2011557

2011556 << 2011557 >> 2011558

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Structure parameters

Chemical name	2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine
Formula	C12 H13 Cl N4
Calculated formula	C12 H13 Cl N4
SMILES	n1c(N)nc(cc1Cl)NC(C)c1ccccc1
Title of publication	2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine
Authors of publication	Lynch, Daniel E.; McClenaghan, Ian
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	11
Pages of publication	e534 - e534
a	17.4851 ± 0.0007 Å
b	17.4851 ± 0.0006 Å
c	16.2878 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4979.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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