Crystallography Open Database

Information card for entry 2238840

Preview

Coordinates	2238840.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-1-[2-(4-Fluoro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one
Formula	C25 H19 F N2 O5 S
Calculated formula	C25 H19 F N2 O5 S
SMILES	c1(ccccc1)S(=O)(=O)n1c2ccccc2c(c1/C=C/c1ccc(cc1N(=O)=O)F)C(=O)CC
Title of publication	(<i>E</i>)-1-[2-(4-Fluoro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one
Authors of publication	Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1780
a	8.2615 ± 0.0003 Å
b	10.7624 ± 0.0005 Å
c	13.2432 ± 0.0006 Å
α	68.606 ± 0.002°
β	80.554 ± 0.003°
γ	81.012 ± 0.002°
Cell volume	1075.53 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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