Crystallography Open Database

Information card for entry 8102221

Preview

Coordinates	8102221.cif
External links	ChemSpider

Structure parameters

Chemical name	(2,6-diisopropyl-phenyl)-pyridin-2-ylmethyl-amine
Formula	C18 H24 N2
Calculated formula	C18 H24 N2
SMILES	c1(c(cccc1C(C)C)C(C)C)NCc1ccccn1
Title of publication	Crystal structure of (2,6-diisopropyl-phenyl)-pyridin-2-ylmethyl-amine, C18H24N2
Authors of publication	Awal Noor; Germund Glatz; Torsten Irrgang; Rhett Kempe
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	1
Pages of publication	51
a	8.352 ± 0.002 Å
b	9.604 ± 0.002 Å
c	10.91 ± 0.002 Å
α	74.91 ± 0.02°
β	83.56 ± 0.02°
γ	70.71 ± 0.02°
Cell volume	797.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202018 (current)	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8102221.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102221.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102221.cif
12960	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102221 via cif-deposit CGI script.	8102221.cif