Crystallography Open Database

Information card for entry 2204295

2204294 << 2204295 >> 2204296

Preview

Coordinates	2204295.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	{3-[4-(N,N-Dimethylamino)phenyl]-1-(4-methylphenyl)- 3-(phenylsulfanyl)propylidene}semicarbazide
Formula	C25 H28 N4 O S
Calculated formula	C25 H28 N4 O S
SMILES	S(C(C/C(=N\NC(=O)N)c1ccc(C)cc1)c1ccc(N(C)C)cc1)c1ccccc1
Title of publication	{3-[4-(<i>N,N</i>-Dimethylamino)phenyl]-1-(4-methylphenyl)-3-(phenylsulfanyl)propylidene}semicarbazide
Authors of publication	Sivaperuman Saravanan; Shanmugam Muthusubramanian
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1895 - o1897
a	6.804 ± 0.005 Å
b	10.531 ± 0.004 Å
c	17.278 ± 0.005 Å
α	88.96 ± 0.05°
β	79.24 ± 0.03°
γ	73.51 ± 0.02°
Cell volume	1165.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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