Crystallography Open Database

Information card for entry 7249304

Preview

Coordinates	7249304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 F3 I N2
Calculated formula	C14 H8 F3 I N2
Title of publication	Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence
Authors of publication	Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen
Journal of publication	CrystEngComm
Year of publication	2024
a	24.8694 ± 0.0003 Å
b	7.34027 ± 0.00012 Å
c	15.1137 ± 0.0002 Å
α	90°
β	102.084 ± 0.0013°
γ	90°
Cell volume	2697.84 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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