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6-Isopropyl-5-meth-oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one.

ABSTRACT: In the title compound, C(14)H(15)N(5)O(2), the whole mol-ecule apart from the terminal C atoms of the isopropyl group is located on a crystallographic mirror plane. An intra-molecular C-H?N hydrogen-bonding inter-action may stabilize the mol-ecular conformation. The crystal packing features weak slipped ?-? inter-actions between the pyrimidine and the phenyl rings of symmetry-related mol-ecules [centroid-centroid distance = 3.746?(1)Å, slippage of 1.574?Å].

SUBMITTER: Zeng XH

PROVIDER: S-EPMC3009167 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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6-Isopropyl-5-meth-oxy-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one.

Zeng Xiao-Hua XH Wang Hong-Mei HM Deng Shou-Heng SH Chen Li-Li LL

Acta crystallographica. Section E, Structure reports online 20101030 Pt 11

In the title compound, C(14)H(15)N(5)O(2), the whole mol-ecule apart from the terminal C atoms of the isopropyl group is located on a crystallographic mirror plane. An intra-molecular C-H⋯N hydrogen-bonding inter-action may stabilize the mol-ecular conformation. The crystal packing features weak slipped π-π inter-actions between the pyrimidine and the phenyl rings of symmetry-related mol-ecules [centroid-centroid distance = 3.746 (1)Å, slippage of 1.574 Å]. ...[more]

PMID: 21589117

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