Crystallography Open Database

Information card for entry 1557324

Preview

Coordinates	1557324.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N'-bis(2-hydroxybenzyl)piperazine nitrate
Formula	C18 H24 N4 O8
Calculated formula	C18 H4 N4 O8
SMILES	C1[NH+](CC[NH+](C1)Cc1c(cccc1)O)Cc1c(cccc1)O.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.
Authors of publication	Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	1162 - 1168
a	9.733 ± 0.004 Å
b	23.332 ± 0.004 Å
c	8.963 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2035.4 ± 0.9 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation probe	x-ray
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
248228 (current)	2020-02-17	cif/ Adding structures of 1557324 via cif-deposit CGI script.	1557324.cif