Crystallography Open Database

Information card for entry 1549674

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Structure parameters

Chemical name	2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one
Formula	C25 H20 N2 O5
Calculated formula	C25 H20 N2 O5
SMILES	C1(=O)c2ccccc2O[C@@H]([C@@]21[C@@H](c1ccc(cc1)N(=O)=O)C(c1ccc(cc1)C)=NO2)C.C1(=O)c2ccccc2O[C@H]([C@]21[C@H](c1ccc(cc1)N(=O)=O)C(c1ccc(cc1)C)=NO2)C
Title of publication	2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one
Authors of publication	Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	IUCrData
Year of publication	2018
Journal volume	3
Journal issue	7
Pages of publication	x180962
a	11.5219 ± 0.0006 Å
b	14.2321 ± 0.0007 Å
c	14.7033 ± 0.0007 Å
α	72.201 ± 0.002°
β	73.469 ± 0.002°
γ	73.647 ± 0.002°
Cell volume	2150.18 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
208969 (current)	2018-07-11	cif/ hkl/ Adding structures of 1549674 via cif-deposit CGI script.	1549674.cif 1549674.hkl