Crystallography Open Database

Information card for entry 2243098

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Structure parameters

Chemical name	4-(4-Methoxyphenyl)piperazin-1-ium 4-fluorobenzoate monohydrate
Formula	C18 H23 F N2 O4
Calculated formula	C18 H23 F N2 O4
Title of publication	Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
Authors of publication	Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	10
Pages of publication	1494 - 1506
a	6.256 ± 0.001 Å
b	7.489 ± 0.001 Å
c	19.097 ± 0.002 Å
α	84.19 ± 0.01°
β	86.98 ± 0.02°
γ	84.62 ± 0.02°
Cell volume	885.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1957
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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