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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.

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

The mol­ecular structure of the title mol­ecule with the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
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fig1: The mol­ecular structure of the title mol­ecule with the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.

Mentions: The mol­ecular structure of the title compound is shown in Fig. 1 ▶. The two indole ring systems are nearly perpendicular to each other [dihedral angle = 87.8 (5)°] while the benzene ring (C22–C27) is twisted to the N1/C2–C9 and N2/C12–C19 indole ring systems by dihedral angles of 82.7 (5) and 85.5 (3)°, respectively. The carboxyl groups are approximately co-planar with the attached indole ring systems, the dihedral angles between the carboxyl groups and the mean planes of the attached indole ring systems being 9.6 (3) and 9.6 (4)°.


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)

The mol­ecular structure of the title mol­ecule with the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig1: The mol­ecular structure of the title mol­ecule with the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
Mentions: The mol­ecular structure of the title compound is shown in Fig. 1 ▶. The two indole ring systems are nearly perpendicular to each other [dihedral angle = 87.8 (5)°] while the benzene ring (C22–C27) is twisted to the N1/C2–C9 and N2/C12–C19 indole ring systems by dihedral angles of 82.7 (5) and 85.5 (3)°, respectively. The carboxyl groups are approximately co-planar with the attached indole ring systems, the dihedral angles between the carboxyl groups and the mean planes of the attached indole ring systems being 9.6 (3) and 9.6 (4)°.

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