Methyl 4-(7-diethylamino-2-oxo-2H-1-benzopyran-3-yl)benzoate

Abstract

Key indicatorsSingle-crystal X-ray study T = 123 K Mean (C-C) = 0.005 Å R factor = 0.046 wR factor = 0.135 Data-to-parameter ratio = 9.5For details of how these key indicators were automatically derived from the article, see

Crystal Structure of 7-(Dimethylamino)-2<i>H</i>-1-benzopyran-2-one

“…Thestructureof7-(dimethylamino)coumarin (1) Table 2, the bond lengths and angles in the coumarinringsysteminbothmoleculesarenormal,andarein good agreement with those observed in 7-(diethylamino) coumarin, 3 7-(diethylamino)-3-(dimethylamino)coumarin, 4 methyl 4-(7-diethylamino-2oxo-2H-1-benzopyran-3-yl) benzoate, 5 7-(diethylamino)-3-((4-ethoxycarbonyl)thiazol-2-yl) coumarin, 6 and 7-(diethylamino)-3-phenylcoumarin. 6 The N atom of the dimethylamine group has a planar environment.…”

Crystal Structure, Mesomorphic and Emission Properties of Liquid Crystals Having a 7-(Diethylamino)-3-phenylcoumarin Core

“…The distances between H43 and the centroid (Cg1 i ) (Symmetry code: (i) 2-x, y-1/2, 2-z) of the pyrane ring (C1-C4/C9/O1) and between H44 and the centroid (Cg2 i ) of the benzene ring (C10-C15) are 2.835 and 3.079 Å, respectively, which are similar to the intermolecular C-H p interaction [3.09 Å] observed in 7-diethylamino-3-dimethylamino-2H-1-benzopyran-2-one 9) and methyl 4-(7-diethylamino-oxo-2H-1-benzopyran-3-yl)benzoate 11) .…”

“…There are some intermolecular C-H O hydrogen bonds in , as shown in and The H1 O2 ii and H2 O1 ii [(ii) x, 1+y, z] distances (2.404 and 2.655 Å) are similar to those of N,N'-bis(1-pyrenylmethyl)-diaza-18-crown-6 ether 32) , methyl 4-(7-diethylamino-oxo-2H-1-benzopyran-3-yl)benzoate 11) . The combination of intermolecular C-H p and C-H O interactions in builds up a three-dimensional network.…”

“…90.2(6) 164.6(5) -9.4(9) 173.2(5) 179.3(6) -175.6(6) 167.9(9) 170.9(9) 144.6 (11) (1)˚, which is distinct from that (112.7 (1)˚) of 7-diethylamino-4-methyl-3-phenylcoumarin 9) . The dihedral angle between the phenyl ring and carboxyl group (defined by C16/O3/O4) is 11.5(1)˚, resembling that (6.9 (1)˚) of methyl paminobenzoate 30) .…”

Crystal Structure of 7-(Diethylamino)-3-(oxazol-5-yl)coumarin

“…7 ThereisanintermolecularC-H·pinteraction observedinthecrystalstructureof1(Table3andFig.3),with distanceforthistypeofinteraction(2.8-3.1Å). [3][4][5][6] TheseintermolecularC-H·O,C-H·N,andCH·pinteractions helptostabilizethecrystalpacking. Table 2 Selected bond distances, bond angles and torsion angles (Å, ˚) Fig.…”