Crystallography Open Database

Information card for entry 4519415

4519414 << 4519415 >> 4519416

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Coordinates	4519415.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol
Formula	C15 H12 F3 N O2
Calculated formula	C15 H12 F2.994 N O2
Title of publication	Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.
Authors of publication	Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.
Journal of publication	ACS omega
Year of publication	2022
Journal volume	7
Journal issue	11
Pages of publication	9867 - 9878
a	26.638 ± 0.003 Å
b	13.754 ± 0.002 Å
c	7.5085 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2751 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0842
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274266 (current)	2022-04-03	cif/ Adding structures of 4519415 via cif-deposit CGI script.	4519415.cif