Crystallography Open Database

Information card for entry 7063267

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Coordinates	7063267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Br N O2
Calculated formula	C16 H16 Br N O2
Title of publication	I2/DMSO-mediated substrate selective oxidation of tetrahydro indole-2,4-dione towards 4-hydroxy isatins and 5,6-dihydro-1H-indole-2,4-dione derivatives
Authors of publication	Sinha, Goutam; Pramanik, Sayan; Jana, Debashis; Ghosh, Anirban; Mukhopadhyay, Chhanda
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	28
Pages of publication	12544 - 12552
a	11.3095 ± 0.0002 Å
b	10.9116 ± 0.0002 Å
c	13.1608 ± 0.0003 Å
α	90°
β	114.827 ± 0.001°
γ	90°
Cell volume	1474 ± 0.05 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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