X-ray Structure Analysis Online
Online ISSN : 1883-3578
ISSN-L : 1883-3578
Part 8
Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin
Kanji KUBOTaisuke MATSUMOTOHaruko TAKECHI
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2019 年 35 巻 p. 47-48

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The structure of 7-(dimethylamino)-3-phenylcoumarin (1) was determined by X-ray crystallography. It crystallizes in the space group P21/a (#14) with cell parameters a = 15.290(3)Å, b = 6.5298(14)Å, c = 27.551(6)Å, β = 105.054(13)°, Z = 8, and V = 2656.2(9)Å3. The R1 (I > 2σ(I)) and wR2 (all data) values are 0.0591 and 0.1864, respectively. The structure of 1 contains two crystallographically independent molecules (1A and 1B). The coumarin rings make angles of 35.2(1)° for 1A and 33.4(1)° for 1B with phenyl groups. Intermolecular C–H···O, C–H···π, and π···π interactions were observed in the crystal lattice.

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© 2019 by The Japan Society for Analytical Chemistry
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