Crystallography Open Database

Information card for entry 7219500

7219499 << 7219500 >> 7219501

Preview

Coordinates	7219500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H11 N O
Calculated formula	C5 H11 N O
SMILES	OC1CCNCC1
Title of publication	Two polymorphs of 4-hydroxypiperidine with different NH configurations
Authors of publication	Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	28
Pages of publication	5206
a	12.0295 ± 0.0004 Å
b	12.0295 ± 0.0004 Å
c	8.0824 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1169.59 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180526 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95.	7219500.cif
143452	2015-07-11	cif/ Updating files of 7219500, 7219501, 7219502, 7219503, 7219504 Original log message: Adding full bibliography for 7219500--7219504.cif.	7219500.cif
131218	2015-02-06	cif/ Adding structures of 7219500, 7219501, 7219502, 7219503, 7219504 via cif-deposit CGI script.	7219500.cif