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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.

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A partial packing diagram of the title compound, viewed approximately along the b axis, with inter­molecular hydrogen bonds shown as black dotted lines and intra­molecular hydrogen bonds shown as green dotted lines.
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fig2: A partial packing diagram of the title compound, viewed approximately along the b axis, with inter­molecular hydrogen bonds shown as black dotted lines and intra­molecular hydrogen bonds shown as green dotted lines.

Mentions: In the crystal, weak C—H⋯O hydrogen bonds (Table 1 ▸, Fig. 2 ▸) 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) Å for Cg1⋯Cg2(x,  − y, − + z) and 3.751 (1) Å for Cg3⋯Cg3(1 − x, 1 − y, −z) where Cg1, Cg2 and Cg3 are the centroids of the C11–C16, C20–C25 and C1–C6 rings, respectively.


Crystal structure of N -(2-benzoyl-5-ethynylphen ­ yl)quinoline-2-carboxamide
A partial packing diagram of the title compound, viewed approximately along the b axis, with inter­molecular hydrogen bonds shown as black dotted lines and intra­molecular hydrogen bonds shown as green dotted lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig2: A partial packing diagram of the title compound, viewed approximately along the b axis, with inter­molecular hydrogen bonds shown as black dotted lines and intra­molecular hydrogen bonds shown as green dotted lines.
Mentions: In the crystal, weak C—H⋯O hydrogen bonds (Table 1 ▸, Fig. 2 ▸) 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) Å for Cg1⋯Cg2(x,  − y, − + z) and 3.751 (1) Å for Cg3⋯Cg3(1 − x, 1 − y, −z) where Cg1, Cg2 and Cg3 are the centroids of the C11–C16, C20–C25 and C1–C6 rings, respectively.

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.


Related in: MedlinePlus