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3-{[5-(4-Bromo-phen-yl)imidazo[2,1-b][1,3,4]thia-diazol-2-yl]meth-yl}-1,2-benzoxazole.

Banu A, Ziaulla M, Begum NS, Lamani RS, Khazi IM - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In the crystal, inter-molecular C-H⋯N inter-actions result in chains of mol-ecules along the b and c axes.Moreover, C-H⋯O inter-actions result in centrosymmetric head-to-head dimers with R(2) (2)(24) graph-set motifs.The mol-ecular packing is further stabilized by π-π stacking inter-actions between the imidazole rings with a shortest centroid-centroid distance of 3.492 (3) Å.

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ABSTRACT
In the title compound, C(18)H(11)BrN(4)OS, the imidazothia-diazole and benzisoxazole rings are individually planar with maximum deviations of 0.025 (3) 0.015 (4) Å, respectively, and are inclined at an angle of 23.51 (7)° with respect to each other. The planes of the imidazothia-diazole and bromo-phenyl rings are inclined at an angle of 27.34 (3)°. In the crystal, inter-molecular C-H⋯N inter-actions result in chains of mol-ecules along the b and c axes. Moreover, C-H⋯O inter-actions result in centrosymmetric head-to-head dimers with R(2) (2)(24) graph-set motifs. The mol-ecular packing is further stabilized by π-π stacking inter-actions between the imidazole rings with a shortest centroid-centroid distance of 3.492 (3) Å. In addition, C-H⋯π inter-actions are observed in the crystal structure.

No MeSH data available.


Related in: MedlinePlus

ORTEP (Farrugia, 1997) view of the title compound, showing 50% probability ellipsoids and the atom numbering scheme.
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Fap1: ORTEP (Farrugia, 1997) view of the title compound, showing 50% probability ellipsoids and the atom numbering scheme.


3-{[5-(4-Bromo-phen-yl)imidazo[2,1-b][1,3,4]thia-diazol-2-yl]meth-yl}-1,2-benzoxazole.

Banu A, Ziaulla M, Begum NS, Lamani RS, Khazi IM - Acta Crystallogr Sect E Struct Rep Online (2010)

ORTEP (Farrugia, 1997) view of the title compound, showing 50% probability ellipsoids and the atom numbering scheme.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050133&req=5

Fap1: ORTEP (Farrugia, 1997) view of the title compound, showing 50% probability ellipsoids and the atom numbering scheme.
Bottom Line: In the crystal, inter-molecular C-H⋯N inter-actions result in chains of mol-ecules along the b and c axes.Moreover, C-H⋯O inter-actions result in centrosymmetric head-to-head dimers with R(2) (2)(24) graph-set motifs.The mol-ecular packing is further stabilized by π-π stacking inter-actions between the imidazole rings with a shortest centroid-centroid distance of 3.492 (3) Å.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(18)H(11)BrN(4)OS, the imidazothia-diazole and benzisoxazole rings are individually planar with maximum deviations of 0.025 (3) 0.015 (4) Å, respectively, and are inclined at an angle of 23.51 (7)° with respect to each other. The planes of the imidazothia-diazole and bromo-phenyl rings are inclined at an angle of 27.34 (3)°. In the crystal, inter-molecular C-H⋯N inter-actions result in chains of mol-ecules along the b and c axes. Moreover, C-H⋯O inter-actions result in centrosymmetric head-to-head dimers with R(2) (2)(24) graph-set motifs. The mol-ecular packing is further stabilized by π-π stacking inter-actions between the imidazole rings with a shortest centroid-centroid distance of 3.492 (3) Å. In addition, C-H⋯π inter-actions are observed in the crystal structure.

No MeSH data available.


Related in: MedlinePlus