Crystallography Open Database

Information card for entry 4504635

Preview

Coordinates	4504635.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-dimethylammonium,8-dimethylaminonaphthalene ororate
Formula	C19 H22 N4 O4
Calculated formula	C19 H22 N4 O4
SMILES	O=C1NC(=CC(=O)N1)C(=O)[O-].N(c1cccc2c1c([NH+](C)C)ccc2)(C)C
Title of publication	The Importance of Weak C−H···O Bonds and π···π Stacking Interactions in the Formation of Organic 1,8-Bis(dimethylamino)naphthalene Complexes withZ‘ > 1
Authors of publication	Nichol, Gary S.; Clegg, William
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	451
a	25.641 ± 0.007 Å
b	11.581 ± 0.002 Å
c	27.303 ± 0.008 Å
α	90°
β	106.598 ± 0.016°
γ	90°
Cell volume	7770 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2212
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179581 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/46.	4504635.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504635.cif
47448	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504632, 4504633, 4504634, 4504635 via cif-deposit CGI script.	4504635.cif