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2-(2-Chloro-pyrimidin-4-yl)-3,5,6,7,8,9-hexahydro-2H-1,2,4-triazolo[4,3-a]azepin-3-one.

ABSTRACT: In the title compound, C(11)H(12)ClN(5)O, the triazolone and pyrimidine rings are almost coplanar [dihedral angle = 2.98?(14)°]. The total puckering amplitude Q(T) of the seven-membered lactam ring is 0.706?(3)?Å.

SUBMITTER: Li GC

PROVIDER: S-EPMC2959440 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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2-(2-Chloro-pyrimidin-4-yl)-3,5,6,7,8,9-hexahydro-2H-1,2,4-triazolo[4,3-a]azepin-3-one.

Li Gong-Chun GC Wang Li-Ye LY Li Zhao-Yang ZY Yang Feng-Ling FL

Acta crystallographica. Section E, Structure reports online 20080913 Pt 10

In the title compound, C(11)H(12)ClN(5)O, the triazolone and pyrimidine rings are almost coplanar [dihedral angle = 2.98 (14)°]. The total puckering amplitude Q(T) of the seven-membered lactam ring is 0.706 (3) Å. ...[more]

PMID: 21201136

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