Crystallography Open Database

Information card for entry 4500424

Preview

Coordinates	4500424.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,4'-Methylene bis(2,6-dimethylaniline)
Chemical name	4,4'-Methylene bis(2,6-dimethylaniline)
Formula	C17 H22 N2
Calculated formula	C17 H22 N2
Title of publication	Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes
Authors of publication	Bhattacharya, Suman; Saha, Binoy K.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2194
a	17.6 ± 0.003 Å
b	8.2122 ± 0.0005 Å
c	14.321 ± 0.003 Å
α	90°
β	132.78 ± 0.03°
γ	90°
Cell volume	1519.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2998
Weighted residual factors for all reflections included in the refinement	0.3262
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
179535 (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 4/50/04.	4500424.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500424.cif
34488	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500419, 4500420, 4500421, 4500422, 4500423, 4500424, 4500425 via cif-deposit CGI script.	4500424.cif