Crystallography Open Database

Information card for entry 2226365

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Structure parameters

Chemical name	4-(2-Ethylphenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
Formula	C17 H16 N4 O S
Calculated formula	C17 H16 N4 O S
SMILES	S=C(N/N=C/1C(=O)Nc2ccccc12)Nc1c(cccc1)CC
Title of publication	4-(2-Ethylphenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide
Authors of publication	Pervez, Humayun; Yaqub, Muhammad; Ramzan, Muhammad; Tahir, M. Nawaz; Iqbal, Mohammad S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	7
Pages of publication	o1609
a	25.6769 ± 0.0007 Å
b	7.434 ± 0.0002 Å
c	16.6548 ± 0.0005 Å
α	90°
β	96.248 ± 0.001°
γ	90°
Cell volume	3160.22 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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