Crystallography Open Database

Information card for entry 1573175

Preview

Coordinates	1573175.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,4-Dichloro-6-{<i>N</i>-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol
Formula	C14 H8 Cl2 F3 N O
Calculated formula	C14 H8 Cl2 F3 N O
Title of publication	2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol
Authors of publication	Xantini, Zizipho; Muller, Alfred; Lammertsma, Koop
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	11
a	7.8436 ± 0.0003 Å
b	13.8612 ± 0.0004 Å
c	25.8433 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2809.73 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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