Crystallography Open Database

Information card for entry 2239010

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Structure parameters

Chemical name	Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate
Formula	C19 H13 Br N2 O5
Calculated formula	C19 H13 Br N2 O5
SMILES	c1cccc2c1NC(=O)C12C(=C(C(=O)O1)Nc1ccc(cc1)Br)C(=O)OC
Title of publication	Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate
Authors of publication	Gangadharan, Rajeswari; Kiruthika, Selvarangam E.; Sethusankar, K.; Perumal, P. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o210 - o211
a	7.845 ± 0.005 Å
b	8.365 ± 0.005 Å
c	13.703 ± 0.005 Å
α	81.565 ± 0.005°
β	81.944 ± 0.005°
γ	76.183 ± 0.005°
Cell volume	858.6 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0628
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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