Crystallography Open Database

Information card for entry 2223655

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Structure parameters

Chemical name	2-Methyl-6-[2-(trifluoromethyl)phenyliminomethyl]phenol
Formula	C15 H12 F3 N O
Calculated formula	C15 H12 F3 N O
SMILES	c1(c(c(ccc1)C)O)/C=N/c1ccccc1C(F)(F)F
Title of publication	2-Methyl-6-[2-(trifluoromethyl)phenyliminomethyl]phenol
Authors of publication	Tanak, Hasan; Yavuz, Metin; Büyükgüngör, Orhan
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	11
Pages of publication	o2949
a	8.1634 ± 0.0003 Å
b	11.881 ± 0.0006 Å
c	13.4469 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1304.21 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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