Crystallography Open Database

Information card for entry 7249307

Preview

Coordinates	7249307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 N3
Calculated formula	C14 H9 N3
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
Journal volume	26
Journal issue	38
Pages of publication	5380 - 5392
a	7.2378 ± 0.001 Å
b	11.8288 ± 0.0014 Å
c	12.7296 ± 0.0017 Å
α	90°
β	92.175 ± 0.005°
γ	90°
Cell volume	1089.1 ± 0.2 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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