Crystallography Open Database

Information card for entry 7214426

Preview

Coordinates	7214426.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	nonylamine
Formula	C9 H21 N
Calculated formula	C9 H21 N
SMILES	NCCCCCCCCC
Title of publication	Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines
Authors of publication	Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	3867
a	5.5458 ± 0.0002 Å
b	50.6527 ± 0.0017 Å
c	7.0521 ± 0.0002 Å
α	90°
β	90.04 ± 0.002°
γ	90°
Cell volume	1981 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
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	0.0924
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for all reflections	0.1425
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	0.8769
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214426.cif
109533	2014-04-16	cif/ Adding structures of 7214418, 7214419, 7214420, 7214421, 7214422, 7214423, 7214424, 7214425, 7214426, 7214427 via cif-deposit CGI script.	7214426.cif