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Crystal structure of N -(2-benzoyl-5-ethynylphen ­ yl)quinoline-2-carboxamide

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ABSTRACT

In the title compound, C25H16N2O2, the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The mol­ecule contains an intra­molecular bifurcated N—H⋯(O,N) hydrogen bond, forming S(5) and S(6) rings, which may influence the conformation of the mol­ecule. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. In addition, the three-dimensional structure contains π–π stacking inter­actions, with centroid–centroid distances of 3.695 (1) and 3.751 (1) Å.

No MeSH data available.


The mol­ecular structure of the title compound, with displacement ellipsoids drawn at the 50% probability level. Hydrogen bonds are shown as dotted lines.
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fig1: The mol­ecular structure of the title compound, with displacement ellipsoids drawn at the 50% probability level. Hydrogen bonds are shown as dotted lines.

Mentions: The mol­ecular structure of the title compound is shown in Fig. 1 ▸. The quinoline ring system (C1–C9/N1) is essentially planar, with a maximum deviation of 0.030 (1) for C8 and forms a dihedral angle of 20.9 (1)° with ethynyl-substituted benzene ring (C11–C16). The benzoyl ring (C20–C25) forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The mol­ecule contains an intra­molecular bifurcated N—H⋯(N,O) hydrogen bond (see Table 1 ▸), forming S(5) and S(6) rings, which may influence the conformation of the mol­ecule.


Crystal structure of N -(2-benzoyl-5-ethynylphen ­ yl)quinoline-2-carboxamide
The mol­ecular structure of the title compound, with displacement ellipsoids drawn at the 50% probability level. Hydrogen bonds are shown as dotted lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5382631&req=5

fig1: The mol­ecular structure of the title compound, with displacement ellipsoids drawn at the 50% probability level. Hydrogen bonds are shown as dotted lines.
Mentions: The mol­ecular structure of the title compound is shown in Fig. 1 ▸. The quinoline ring system (C1–C9/N1) is essentially planar, with a maximum deviation of 0.030 (1) for C8 and forms a dihedral angle of 20.9 (1)° with ethynyl-substituted benzene ring (C11–C16). The benzoyl ring (C20–C25) forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The mol­ecule contains an intra­molecular bifurcated N—H⋯(N,O) hydrogen bond (see Table 1 ▸), forming S(5) and S(6) rings, which may influence the conformation of the mol­ecule.

View Article: PubMed Central - HTML - PubMed

ABSTRACT

In the title compound, C25H16N2O2, the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The mol­ecule contains an intra­molecular bifurcated N—H⋯(O,N) hydrogen bond, forming S(5) and S(6) rings, which may influence the conformation of the mol­ecule. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. In addition, the three-dimensional structure contains π–π stacking inter­actions, with centroid–centroid distances of 3.695 (1) and 3.751 (1) Å.

No MeSH data available.