Crystallography Open Database

Information card for entry 2243657

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Structure parameters

Chemical name	4-(2-Methoxyphenyl)piperazin-1-ium hydrogen fumarate
Formula	C15 H20 N2 O5
Calculated formula	C15 H20 N2 O5
Title of publication	Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
Authors of publication	Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	11
Pages of publication	1779 - 1793
a	7.8546 ± 0.0004 Å
b	8.9626 ± 0.0006 Å
c	11.2056 ± 0.0008 Å
α	79.043 ± 0.005°
β	87.715 ± 0.005°
γ	85.84 ± 0.005°
Cell volume	772.15 ± 0.09 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	0.0464
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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