5-Chloro-N-[2-(1H-imidazol-4-yl)eth-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
Acta Crystallogr Sect E Struct Rep Online
; 66(Pt 1): o242, 2009 Dec 24.
Article
em En
| MEDLINE
| ID: mdl-21580123
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 5.5â
(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 = 91.6â
(2)°]. The imidazolyl plane itself, however, forms a relatively small dihedral angle of 20.8â
(1)° with the pyrrolo[2,3-d]pyrimidine plane. There are two independent N-Hâ¯N hydrogen bonds in the structure, which link mol-ecules into layers parallel to (03).
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MEDLINE
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En
Ano de publicação:
2009
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Article