Crystallography Open Database

Information card for entry 8106423

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Coordinates	8106423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Cl N2 S
Calculated formula	C17 H21 Cl N2 S
Title of publication	Crystal structure of 1-(adamantan-1-yl)-3-(3-chlorophenyl)thiourea, C17H21ClN2S
Authors of publication	Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	1
Pages of publication	33 - 35
a	25.4796 ± 0.0011 Å
b	6.7503 ± 0.0003 Å
c	18.9971 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3267.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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