Crystallography Open Database

Information card for entry 2220961

2220960 << 2220961 >> 2220962

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Structure parameters

Chemical name	1,3-Bis(3-methylphenyl)thiourea
Formula	C15 H16 N2 S
Calculated formula	C15 H16 N2 S
Title of publication	1,3-Bis(3-methylphenyl)thiourea: triclinic polymorph
Authors of publication	Shahwar, Durre; Tahir, M. Nawaz; Khan, Muhammad Akmal; Ahmad, Naeem; Furqan, Muhammad
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	3
Pages of publication	o482
a	10.0483 ± 0.0005 Å
b	12.0993 ± 0.0007 Å
c	13.11 ± 0.0007 Å
α	67.633 ± 0.002°
β	73.496 ± 0.001°
γ	74.994 ± 0.002°
Cell volume	1392.64 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0937
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKαradiation
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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