Crystallography Open Database

Information card for entry 2241317

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Structure parameters

Chemical name	3-Benzyl-1-[(cyclohexylidene)amino]thiourea
Formula	C14 H19 N3 S
Calculated formula	C14 H19 N3 S
SMILES	S=C(NCc1ccccc1)NN=C1CCCCC1
Title of publication	Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea
Authors of publication	Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	o933 - o934
a	6.5537 ± 0.0003 Å
b	10.5247 ± 0.0005 Å
c	11.3403 ± 0.0005 Å
α	113.682 ± 0.001°
β	92.969 ± 0.002°
γ	106.61 ± 0.002°
Cell volume	673.96 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0351
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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