Crystallography Open Database

Information card for entry 2239115

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Structure parameters

Chemical name	1-Ethyl-5-iodoindoline-2,3-dione
Formula	C10 H8 I N O2
Calculated formula	C10 H8 I N O2
SMILES	CCN1c2ccc(cc2C(=O)C1=O)I
Title of publication	1-Ethyl-5-iodoindoline-2,3-dione
Authors of publication	Wang, Lei; Shen, Yu-Xiang; Dong, Jian-Tong; Zhang, Man; Fang, Qi
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	o67
a	9.9658 ± 0.0002 Å
b	10.1453 ± 0.0002 Å
c	11.3007 ± 0.0002 Å
α	71.188 ± 0.001°
β	72.599 ± 0.001°
γ	84.434 ± 0.001°
Cell volume	1032.04 ± 0.04 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0291
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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