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2-Bromo-5-tert-butyl-N-methyl-N-[2-(methyl-amino)-phen-yl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide.

Prasad PR, Das S, Singh HB, Butcher RJ - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The mol-ecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring.These dimers are further linked into zigzag ribbons along [201] by weak C-H⋯Br inter-actions.As a result of the bulky nature of the mol-ecule, as evidenced by the large dihedral angles between rings, there is little evidence for any π-π inter-actions.

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Affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.

ABSTRACT
In the title compound, C27H29BrN4O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016 (2) and 0.017 (1) Å, respectively]. The mol-ecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring. In the crystal, the mol-ecules form dimers through N-H⋯O hydrogen bonds and C-H⋯O interactions. These dimers are further linked into zigzag ribbons along [201] by weak C-H⋯Br inter-actions. As a result of the bulky nature of the mol-ecule, as evidenced by the large dihedral angles between rings, there is little evidence for any π-π inter-actions.

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The molecular packing for C27H29BrN4O viewed along the b axis showing linking of the hydrogen bonded dimers into zigzag chains in the [2 0 1] direction by C—H···Br interactions (N—H···O and C—H···Br interactions shown as dashed bonds).
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Fap3: The molecular packing for C27H29BrN4O viewed along the b axis showing linking of the hydrogen bonded dimers into zigzag chains in the [2 0 1] direction by C—H···Br interactions (N—H···O and C—H···Br interactions shown as dashed bonds).


2-Bromo-5-tert-butyl-N-methyl-N-[2-(methyl-amino)-phen-yl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide.

Prasad PR, Das S, Singh HB, Butcher RJ - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular packing for C27H29BrN4O viewed along the b axis showing linking of the hydrogen bonded dimers into zigzag chains in the [2 0 1] direction by C—H···Br interactions (N—H···O and C—H···Br interactions shown as dashed bonds).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120529&req=5

Fap3: The molecular packing for C27H29BrN4O viewed along the b axis showing linking of the hydrogen bonded dimers into zigzag chains in the [2 0 1] direction by C—H···Br interactions (N—H···O and C—H···Br interactions shown as dashed bonds).
Bottom Line: The mol-ecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring.These dimers are further linked into zigzag ribbons along [201] by weak C-H⋯Br inter-actions.As a result of the bulky nature of the mol-ecule, as evidenced by the large dihedral angles between rings, there is little evidence for any π-π inter-actions.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.

ABSTRACT
In the title compound, C27H29BrN4O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016 (2) and 0.017 (1) Å, respectively]. The mol-ecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring. In the crystal, the mol-ecules form dimers through N-H⋯O hydrogen bonds and C-H⋯O interactions. These dimers are further linked into zigzag ribbons along [201] by weak C-H⋯Br inter-actions. As a result of the bulky nature of the mol-ecule, as evidenced by the large dihedral angles between rings, there is little evidence for any π-π inter-actions.

No MeSH data available.


Related in: MedlinePlus