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

Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin

“…As shown in Table 2, the bond lengths and angles in the coumarin ring system in both molecules are normal and are in good agreement with those observed in 7-(dimethylamino)coumarin, 3 7-(diethylamino)-3-phenyl-coumarin, 4 and methyl 4-(7-diethylamino-2-oxo-2H-1-benzopyran-3-yl)benzoate. 5 The N atom of the dimethylamine group has a planar environment.…”

“…The distances between the intermolecular coumarin planes are 3.394(3)Å for C7···C9 ii (symmetry code: (ii) 1-x, -y, 1-z) and 3.400(3)Å for C24···C26 vii (symmetry code: (vii) 1-x, -y, 2-z), which are within the range associated with π···π interactions (3.3 -3.8 Å). [3][4][5] There are some intermolecular C-H···π and C-H···O interactions observed in the crystal structure of 1 (Table 3 and Fig. 3), with distances that are typical for those types of interactions: C-H···π interaction = 2.8 -3.1 Å 3-5 and C-H···O interaction = 2.4 -2.7 Å.…”

Crystal Structure of 3-Bromo-7-(dimethylamino)-4-methylcoumarin

“…The distance between the intermolecular coumarin planes is 3.347(3)Å for C1·C5 i (symmetry code: (i) 2-x, 2-y, -z), which is within the range associated with p·p interactions (3.3 -3.8 Å). 1,2 There are some intermolecular C-H·p and C-H·O interactions observed in the crystal structure of 1 (Table 3 and Fig. 3), with distances that are typical for those types of interactions: C-H·p interaction = 2.8 -3.1 Å 1,2 and C-H·O interaction = 2.4 -2.7 Å.…”

“…3), with distances that are typical for those types of interactions: C-H·p interaction = 2.8 -3.1 Å 1,2 and C-H·O interaction = 2.4 -2.7 Å. 1,2 An intermolecular C=O·Br interaction is observed in the crystal structure of 1. The O1·Br1 iv (symmetry code: (iv) 5/2-x, y-1/2, 1/2-z) distance is 3.2197(18)Å, which is similar to that (3.23 Å) 6 of 2,5-dibromo-4,6-dimethylisophthalaldehyde and shorter than the sum (3.37 Å) 5 of the van der Waals radii of the O and Br atoms.…”

“…1,2 Coumarin 311, 7-(dimethylamino)-4-methylcoumarin, is also used as laser dyes. It gives laser emission at around 453 nm in ethanol.…”