Crystallography Open Database

Information card for entry 1557323

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Coordinates	1557323.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N'-bis(2-hydroxybenzyl)piperazine
Formula	C18 H22 N2 O2
Calculated formula	C18 H2 N2 O2
SMILES	C1N(CCN(C1)Cc1c(cccc1)O)Cc1c(cccc1)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	6.745 ± 0.006 Å
b	8.796 ± 0.002 Å
c	13.407 ± 0.002 Å
α	90°
β	98.99 ± 0.03°
γ	90°
Cell volume	785.7 ± 0.7 Å³
Ambient diffraction temperature	293 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	0.1208
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
248227 (current)	2020-02-17	cif/ Adding structures of 1557323 via cif-deposit CGI script.	1557323.cif