Crystallography Open Database

Information card for entry 7225857

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Structure parameters

Common name	piperazine monohydrate
Formula	C4 H12 N2 O
Calculated formula	C4 H12 N2 O
Title of publication	Crystalline products of CO2capture by piperazine aqueous solutions
Authors of publication	Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	33
Pages of publication	6282
a	9.856 ± 0.003 Å
b	6.681 ± 0.002 Å
c	9.172 ± 0.003 Å
α	90°
β	108.778 ± 0.004°
γ	90°
Cell volume	571.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225857.cif
186367	2016-09-10	cif/ Updating files of 7225856, 7225857, 7225858, 7225859 Original log message: Adding full bibliography for 7225856--7225859.cif.	7225857.cif
184314	2016-07-09	cif/ Adding structures of 7225856, 7225857, 7225858, 7225859 via cif-deposit CGI script.	7225857.cif