Crystallography Open Database

Information card for entry 2012098

2012097 << 2012098 >> 2012099

Preview

Structure parameters

Chemical name	3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'- 1',2',3',4'-tetrahydronaphthalen-1'-one
Formula	C24 H18 Cl N O2
Calculated formula	C24 H18 Cl N O2
SMILES	Clc1ccc(C2=NO[C@]3([C@H]2c2ccccc2)CCc2ccccc2C3=O)cc1.Clc1ccc(C2=NO[C@@]3([C@@H]2c2ccccc2)CCc2ccccc2C3=O)cc1
Title of publication	3-(<i>p</i>-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one
Authors of publication	Subbiah Pandi, A.; Banumathi, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Manikandan, S.
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	7
Pages of publication	819 - 820
a	9.2559 ± 0.0008 Å
b	10.9527 ± 0.0009 Å
c	11.6466 ± 0.001 Å
α	62.867 ± 0.002°
β	71.01 ± 0.002°
γ	78.653 ± 0.002°
Cell volume	991.93 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1031
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.