Crystallography Open Database

Information card for entry 2022859

2022858 << 2022859 >> 2022860

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Coordinates	2022859.cif
Structure factors	2022859.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	3-(4-Fluorophenyl)-2-formyl-7-methylimidazo[1,2-<i>a</i>]pyridin-1-ium chloride monohydrate
Formula	C15 H14 Cl F N2 O2
Calculated formula	C15 H14 Cl F N2 O2
SMILES	[Cl-].Fc1ccc(c2n3c([nH+]c2C=O)cc(cc3)C)cc1.O
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluorophenyl)-2-formyl-7-methylimidazo[1,2-a]pyridin-1-ium chloride monohydrate
Authors of publication	Guseinov, Firudin I.; Ovsyannikov, Viacheslav O.; Sokolovskiy, Pavel V.; Sebyakin, Yurii L.; Samigullina, Aida I.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	10
a	7.45681 ± 0.00013 Å
b	8.41737 ± 0.0001 Å
c	12.8928 ± 0.0002 Å
α	74.0382 ± 0.0012°
β	73.7634 ± 0.0014°
γ	72.7034 ± 0.0013°
Cell volume	725.4 ± 0.02 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
286318 (current)	2023-09-13	cif/ hkl/ Adding structures of 2022859 via cif-deposit CGI script.	2022859.cif 2022859.hkl