Crystallography Open Database

Information card for entry 2003281

2003280 << 2003281 >> 2003282

Preview

Coordinates	2003281.cif
Original IUCr paper	HTML

Structure parameters

Formula	C7 H12 N4 S2
Calculated formula	C7 H12 N4 S2
Title of publication	A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione and Thiourea
Authors of publication	Seth, S.; Sur, H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	3
Pages of publication	487 - 489
a	7.511 ± 0.003 Å
b	9.468 ± 0.005 Å
c	8.142 ± 0.002 Å
α	88.26 ± 0.04°
β	112.69 ± 0.02°
γ	92.23 ± 0.04°
Cell volume	533.7 ± 0.4 Å³
Cell temperature	295 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 significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.038
Goodness-of-fit parameter for significantly intense reflections	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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