Curtin University Homepage
  • Library
  • Help
    • Admin

    espace - Curtin’s institutional repository

    JavaScript is disabled for your browser. Some features of this site may not work without it.
    View Item 
    • espace Home
    • espace
    • Curtin Research Publications
    • View Item
    • espace Home
    • espace
    • Curtin Research Publications
    • View Item

    Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1]

    163344_40032_11C136.pdf (371.8Kb)
    Access Status
    Open access
    Authors
    Dolzhenko, Anton
    Tan, G.
    Koh, L.
    Dolzhenko, A.
    Chui, W.
    Date
    2011
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Dolzhenko, Anton V. and Tan, Geok Kheng and Koh, Lip Lin and Dolzhenko, Anna V. and Chui, Wai Keung. 2011. Molecular and Crystal Structure of 7,7-Dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine [1]. Crystals. 1 (3): pp. 136-144.
    Source Title
    Crystals
    DOI
    10.3390/cryst1030136
    ISSN
    20734352
    School
    School of Pharmacy
    Remarks

    Published by MDPI Publishing

    URI
    http://hdl.handle.net/20.500.11937/6308
    Collection
    • Curtin Research Publications
    Abstract

    When crystallized from ethanol, 7,7-dimethyl-2-pyridin-4-yl-6,7-dihydro-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine forms crystals which have monoclinic (P21/n) symmetry with unit cell dimensions a = 7.3326(5) Å, b = 19.4897(14) Å, c = 8.6586(6) Å, α = 90°, β = 106.069(2)°, γ = 90°, V = 1189.06(14) Å3, Z = 4. The triazine ring in the molecule has a flattened boat conformation with gem-dimethyl groups as flagpole and bowsprit at the bow. The puckering parameters for the ring are: Q = 0.2996(14) Å, θ = 111.7(3)° and φ = 124.1(3)°. In the crystal, molecules are arranged in the three types of chains generated by the intermolecular NH···N hydrogen bonds. The extended chains with the C(11) graph-set motif running along a [010] axis are formed by the amino group hydrogen atom and the pyridine nitrogen atom of another molecule. The C(4)C(6) chains with the R22(8) binary graph-set motif running along a [101] direction are formed by linking the amino group hydrogen atom and the hydrogen atom at the triazine nitrogen atom with the triazole and triazine nitrogen atoms of another molecule, respectively. The centrosymmetric inverted dimers are formed via the C-H···π interactions between the methyl group hydrogen and the pyridine ring of the pair molecule.

    Related items

    Showing items related by title, author, creator and subject.

    • 4,4-Dimethyl-3,4-dihydropyrido[2',3':3,4]pyrazolo[1,5-a ][1,3,5]triazin-2-amine ethanol monosolvate
      Dolzhenko, Anton; Tan, G.; Dolzhenko, A.; Koh, L.; Chui, W. (2011)
      In the title compound, C10H12N6.C2H5OH, the planarity of the heterocyclic system is slightly distorted at the triazine ring (r.m.s. deviation = 0.1191 A), which adopts a conformation best described as intermediate between ...
    • 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one
      Dolzhenko, Anton; Tan, G.; Dolzhenko, A.; Koh, L.; Chui, W. (2011)
      In the title compound, C16H13N7O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 A). The attached benzene ring lies almost in the mean plane of 1,2,4-triazo ...
    • 7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol solvate.
      Dolzhenko, Anton; Tan, G.; Koh, L.; Woo, S.; Chui, W. (2008)
      7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine crystallized with one molecule of methanol to give the title compound, C12H13N7CH3OH. The triazolo[1,5-a][1,3,5]triazine heterocyclic core is essentially ...
    Advanced search

    Browse

    Communities & CollectionsIssue DateAuthorTitleSubjectDocument TypeThis CollectionIssue DateAuthorTitleSubjectDocument Type

    My Account

    Admin

    Statistics

    Most Popular ItemsStatistics by CountryMost Popular Authors

    Follow Curtin

    • 
    • 
    • 
    • 
    • 

    CRICOS Provider Code: 00301JABN: 99 143 842 569TEQSA: PRV12158

    Copyright | Disclaimer | Privacy statement | Accessibility

    Curtin would like to pay respect to the Aboriginal and Torres Strait Islander members of our community by acknowledging the traditional owners of the land on which the Perth campus is located, the Whadjuk people of the Nyungar Nation; and on our Kalgoorlie campus, the Wongutha people of the North-Eastern Goldfields.