Crystallography Open Database

Information card for entry 7160175

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Coordinates	7160175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N O S
Calculated formula	C15 H13 N O S
Title of publication	MeOTf- catalyzed Friedel-Crafts alkylation of benzoxazolones, benzothiazolones, indolinones and benzimidazolones with activated secondary alcohols
Authors of publication	Duari, Surajit; Biswas, Subrata; Roy, Arnab; Maity, Srabani; Elsharif, Asma; Biswas, Srijit
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	13.3265 ± 0.0016 Å
b	6.1652 ± 0.0008 Å
c	31.478 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2586.2 ± 0.6 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1179
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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