Crystallography Open Database

Information card for entry 2219434

2219433 << 2219434 >> 2219435

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Structure parameters

Chemical name	A second monoclinic polymorph of 2-amino-4,6-dichloropyrimidine
Formula	C4 H3 Cl2 N3
Calculated formula	C4 H3 Cl2 N3
SMILES	Clc1nc(nc(Cl)c1)N
Title of publication	A second monoclinic polymorph of 2-amino-4,6-dichloropyrimidine
Authors of publication	Fun, Hoong-Kun; Chantrapromma, Suchada; Jana, Subrata; Chakrabarty, Rinku; Goswami, Shyamaprosad
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	9
Pages of publication	o1659 - o1660
a	32.06 ± 0.004 Å
b	3.8045 ± 0.0006 Å
c	21.302 ± 0.003 Å
α	90°
β	102.193 ± 0.007°
γ	90°
Cell volume	2539.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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