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5-Bromo-N-methyl-pyrimidin-2-amine.

ABSTRACT: In the title mol-ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007?Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032?(1) and 0.009?(5)?Å, respectively], while the methyl C atom lies 0.100?(15)?Å from this plane with a dihedral angle between the pyrimidine ring and the methyl-amine group of 4.5?(3)°. In the crystal, C-H?N, C-H?Br and N-H?N hydrogen bonds link the mol-ecules into a two-dimensional network in the (011) plane.

SUBMITTER: Yang Q

PROVIDER: S-EPMC3254458 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

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5-Bromo-N-methyl-pyrimidin-2-amine.

Yang Qi Q Xu Ning N Zhu Kai K Lv Xiaoping X Han Ping-Fang PF

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

In the title mol-ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007 Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032 (1) and 0.009 (5) Å, respectively], while the methyl C atom lies 0.100 (15) Å from this plane with a dihedral angle between the pyrimidine ring and the methyl-amine group of 4.5 (3)°. In the crystal, C-H⋯N, C-H⋯Br and N-H⋯N hydrogen bonds link the mol-ecules into a two-dimens ...[more]

PMID: 22259398

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