Crystallography Open Database

Information card for entry 7037341

Preview

Coordinates	7037341.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-Methylbenzoxazol-2-yl-carboxamide
Formula	C10 H10 N2 O2
Calculated formula	C10 H10 N2 O2
SMILES	C(c1oc2cccc(c2n1)C)C(=O)N
Title of publication	Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.
Authors of publication	Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6149 - 6158
a	7.79 ± 0.002 Å
b	7.974 ± 0.002 Å
c	8.279 ± 0.003 Å
α	93.24 ± 0.02°
β	115.09 ± 0.03°
γ	99.95 ± 0.02°
Cell volume	453.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
181744 (current)	2016-04-05	cif/ Updating files of 7037336, 7037337, 7037338, 7037339, 7037340, 7037341, 7037342, 7037343 Original log message: Adding full bibliography for 7037336--7037343.cif.	7037341.cif
170427	2015-11-20	cif/ Adding structures of 7037336, 7037337, 7037338, 7037339, 7037340, 7037341, 7037342, 7037343 via cif-deposit CGI script.	7037341.cif