Crystallography Open Database

Information card for entry 8105488

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Coordinates	8105488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 N3 S
Calculated formula	C12 H15 N3 S
Title of publication	Crystal structure of 3-ethyl-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, C12H15N3S
Authors of publication	Tan, Ming Yueh; Ho, Sheng Zhou; Tan, Kong Wai; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1439 - 1441
a	11.9612 ± 0.0005 Å
b	8.1215 ± 0.0003 Å
c	27.5865 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2679.83 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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