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Crystal structure of dimethyl 3,3'-[(3-fluoro-phenyl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Lu XH, Sun HS, Hu J - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic-ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°.In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the b-axis direction.Weak C-H⋯π inter-actions are observed between neighbouring chains.

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Affiliation: Department of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China.

ABSTRACT
In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic-ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

No MeSH data available.


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A packing diagram of the title compound. Hydrogen bonds are shown as dashed lines.
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fig2: A packing diagram of the title compound. Hydrogen bonds are shown as dashed lines.

Mentions: In the crystal, pairs of N1—H1A⋯O3i [symmetry code: (i) −x, 1 − y, −z] hydrogen bonds link the mol­ecules into inversion dimmers, which are further linked by N2—H2A⋯O2ii [symmetry code: (ii) x, 1 + y, z] hydrogen bonds into supra­molecular chains propagating along the b-axis direction (Table 1 ▶ and Fig. 2 ▶). Weak C—H⋯π inter­actions are also observed between neighbouring chains (Table 1 ▶).


Crystal structure of dimethyl 3,3'-[(3-fluoro-phenyl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

Lu XH, Sun HS, Hu J - Acta Crystallogr Sect E Struct Rep Online (2014)

A packing diagram of the title compound. Hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257463&req=5

fig2: A packing diagram of the title compound. Hydrogen bonds are shown as dashed lines.
Mentions: In the crystal, pairs of N1—H1A⋯O3i [symmetry code: (i) −x, 1 − y, −z] hydrogen bonds link the mol­ecules into inversion dimmers, which are further linked by N2—H2A⋯O2ii [symmetry code: (ii) x, 1 + y, z] hydrogen bonds into supra­molecular chains propagating along the b-axis direction (Table 1 ▶ and Fig. 2 ▶). Weak C—H⋯π inter­actions are also observed between neighbouring chains (Table 1 ▶).

Bottom Line: In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic-ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°.In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the b-axis direction.Weak C-H⋯π inter-actions are observed between neighbouring chains.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China.

ABSTRACT
In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic-ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

No MeSH data available.


Related in: MedlinePlus