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5-Chloro-N-[2-(1H-imidazol-4-yl)eth-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

ABSTRACT: The title compound, C(12)H(13)ClN(6), was prepared by reaction of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine with 2-(1H-imid-azol-4-yl)-N-methyl-ethanamine, and the X-ray study confirmed that chloro-substituent in six-membered ring was replaced in the reaction. The exocyclic N atom environment is approximately coplanar with the pyrrolo[2,3-d]pyrimidine [corresponding dihedral angle is 5.5?(1)°], whereas the mean plane of the N-C-C-C link connecting with the imidazolyl ring is almost exactly orthogonal to the plane of the bicyclic system [dihedral angle = 91.6?(2)°]. The imidazolyl plane itself, however, forms a relatively small dihedral angle of 20.8?(1)° with the pyrrolo[2,3-d]pyrimidine plane. There are two independent N-H?N hydrogen bonds in the structure, which link mol-ecules into layers parallel to (03).

SUBMITTER: Richter D 

PROVIDER: S-EPMC2980157 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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5-Chloro-N-[2-(1H-imidazol-4-yl)eth-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Richter Daniel D   Kath John C JC   Rheingold Arnold L AL   Dipasquale Antonio A   Yanovsky Alex A  

Acta crystallographica. Section E, Structure reports online 20091224 Pt 1

The title compound, C(12)H(13)ClN(6), was prepared by reaction of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine with 2-(1H-imid-azol-4-yl)-N-methyl-ethanamine, and the X-ray study confirmed that chloro-substituent in six-membered ring was replaced in the reaction. The exocyclic N atom environment is approximately coplanar with the pyrrolo[2,3-d]pyrimidine [corresponding dihedral angle is 5.5 (1)°], whereas the mean plane of the N-C-C-C link connecting with the imidazolyl ring is almost exactly orthog  ...[more]

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