Crystal structure of (<i>E</i>)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

In the title compound, C22H17NO3, the molecule has an E conformation about the C=C bond, and the C—C=C—C torsion angle is −177.7 (3)°. The planes of the terminal benzene rings are twisted by 41.62 (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02 (15)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.29 (16)°. In the crystal, molecules are linked by two weak C—H⋯π interactions, forming rectangular tubes propagating along the b-axis direction.

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Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Shanthi

Vidhyasagar

Rajeswari

et al. 2015

Acta Cryst E

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In the title compound, C21H15NO3, the molecule has an E conformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the molecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 0.1 (3)°]. In the crystal, molecules are linked via C—H⋯π interactions, involving the terminal benzene rings, forming corrugated layers parallel to (100).

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Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Abstract: The title compound crystallized with two independent molecules in the asymmetric unit. In the crystal, they are linked to one another, forming chains enclosing (10) and (12) ring motifs.

Cited by 3 publications

References 9 publications

Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations

Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations

Crystal structure of (E)-1-(4′-methyl-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

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Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Abstract: The title compound crystallized with two independent mol­ecules in the asymmetric unit. In the crystal, they are linked to one another, forming chains enclosing (10) and (12) ring motifs.

Cited by 3 publications

References 9 publications

Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations

Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations

Crystal structure of (E)-1-(4′-methyl-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Contact Info

Product

Resources

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Abstract: The title compound crystallized with two independent molecules in the asymmetric unit. In the crystal, they are linked to one another, forming chains enclosing (10) and (12) ring motifs.