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Crystal structure of 2,4,6-tris-(cyclo-hex-yloxy)-1,3,5-triazine.

Sankolli R, Hauser J, Row TN, Hulliger J - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound, C21H33N3O3, is a tri-substituted cyclo-hex-yloxy triazine.The inter-centroid distance of the π-π inter-action involving the triazine rings is 3.3914 (10) Å.There are also weak C-H⋯N and C-H⋯O contacts present, linking inversion-related ribbons, forming a three-dimensional structure.

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Affiliation: Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland.

ABSTRACT
The title compound, C21H33N3O3, is a tri-substituted cyclo-hex-yloxy triazine. In the crystal, the triazine rings form (C3i-PU) Piedfort units. The inter-centroid distance of the π-π inter-action involving the triazine rings is 3.3914 (10) Å. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming ribbons propagating along [1-10]. There are also weak C-H⋯N and C-H⋯O contacts present, linking inversion-related ribbons, forming a three-dimensional structure.

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A view along the c axis of the crystal packing of the title compound. The most significant C—H⋯O hydrogen bonds (see Table 1 ▸) are shown as dashed lines, and the only H atoms shown are H12A and H9A (grey balls) for clarity.
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fig2: A view along the c axis of the crystal packing of the title compound. The most significant C—H⋯O hydrogen bonds (see Table 1 ▸) are shown as dashed lines, and the only H atoms shown are H12A and H9A (grey balls) for clarity.

Mentions: In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming ribbons propagating along [10] (Fig. 2 ▸ and Table 1 ▸). Inversion-related ribbons are linked by weak C—H⋯N and C—H⋯O contacts, forming a three-dimensional structure (Table 1 ▸). There are Piedfort units (C3i-PU) present (Jessiman et al., 1990 ▸), as shown in Fig. 3 ▸. The inter-centroid distance of the slightly slipped parallel π–π inter­action involving inversion-related triazine rings is 3.3914 (10) Å. The inter-planar distance is 3.3315 (7) Å, while the slippage is 0.634 Å. There are three C—H⋯H—C van der Waals contacts, 2.28, 2.28 and 2.37 Å (Fig. 4 ▸), which are longer than those in the crystal structure of PHTP (measured 2.13, 2.14 and 2.16 Å; Harlow & Desiraju, 1990 ▸).


Crystal structure of 2,4,6-tris-(cyclo-hex-yloxy)-1,3,5-triazine.

Sankolli R, Hauser J, Row TN, Hulliger J - Acta Crystallogr E Crystallogr Commun (2015)

A view along the c axis of the crystal packing of the title compound. The most significant C—H⋯O hydrogen bonds (see Table 1 ▸) are shown as dashed lines, and the only H atoms shown are H12A and H9A (grey balls) for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645094&req=5

fig2: A view along the c axis of the crystal packing of the title compound. The most significant C—H⋯O hydrogen bonds (see Table 1 ▸) are shown as dashed lines, and the only H atoms shown are H12A and H9A (grey balls) for clarity.
Mentions: In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming ribbons propagating along [10] (Fig. 2 ▸ and Table 1 ▸). Inversion-related ribbons are linked by weak C—H⋯N and C—H⋯O contacts, forming a three-dimensional structure (Table 1 ▸). There are Piedfort units (C3i-PU) present (Jessiman et al., 1990 ▸), as shown in Fig. 3 ▸. The inter-centroid distance of the slightly slipped parallel π–π inter­action involving inversion-related triazine rings is 3.3914 (10) Å. The inter-planar distance is 3.3315 (7) Å, while the slippage is 0.634 Å. There are three C—H⋯H—C van der Waals contacts, 2.28, 2.28 and 2.37 Å (Fig. 4 ▸), which are longer than those in the crystal structure of PHTP (measured 2.13, 2.14 and 2.16 Å; Harlow & Desiraju, 1990 ▸).

Bottom Line: The title compound, C21H33N3O3, is a tri-substituted cyclo-hex-yloxy triazine.The inter-centroid distance of the π-π inter-action involving the triazine rings is 3.3914 (10) Å.There are also weak C-H⋯N and C-H⋯O contacts present, linking inversion-related ribbons, forming a three-dimensional structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012 Bern, Switzerland.

ABSTRACT
The title compound, C21H33N3O3, is a tri-substituted cyclo-hex-yloxy triazine. In the crystal, the triazine rings form (C3i-PU) Piedfort units. The inter-centroid distance of the π-π inter-action involving the triazine rings is 3.3914 (10) Å. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming ribbons propagating along [1-10]. There are also weak C-H⋯N and C-H⋯O contacts present, linking inversion-related ribbons, forming a three-dimensional structure.

No MeSH data available.


Related in: MedlinePlus