Crystallography Open Database

Information card for entry 2243097

Preview

Structure parameters

Chemical name	4-(4-Methoxyphenyl)piperazin-1-ium benzoate monohydrate
Formula	C18 H24 N2 O4
Calculated formula	C18 H24 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	6.215 ± 0.001 Å
b	7.547 ± 0.001 Å
c	18.716 ± 0.004 Å
α	84.34 ± 0.02°
β	87.14 ± 0.02°
γ	84.69 ± 0.02°
Cell volume	869.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1155
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2243097.html