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3,6-Dimethyl-1-phenyl-4-(2-thien-yl)-8-(2-thienylmethyl-ene)-5,6,7,8-tetra-hydro-1H-pyrazolo[3,4-b][1,6]naphthyridine.

ABSTRACT: In the mol-ecule of the title compound, C(26)H(22)N(4)S(2), the pyrazole ring is oriented at a dihedral angle of 0.85?(3)° with respect to the adjacent naphthyridine ring, while the other ring of naphthyridine adopts an envelope conformation. The dihedral angle between phenyl and pyrazole rings is 87.65?(3)°. In the crystal structure, weak inter-molecular C-H?N inter-actions link the mol-ecules into chains. The ?-? contacts between the naphthyridine rings and the naphthyridine and thio-phene rings [centroid-centroid distances = 3.766?(3) and 3.878?(3)?Å] may further stabilize the structure. A weak C-H?? inter-action is also present.

SUBMITTER: Peng J 

PROVIDER: S-EPMC2977787 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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3,6-Dimethyl-1-phenyl-4-(2-thien-yl)-8-(2-thienylmethyl-ene)-5,6,7,8-tetra-hydro-1H-pyrazolo[3,4-b][1,6]naphthyridine.

Peng Juhua J   Han Zhengguo Z   Ma Ning N   Tu Shujiang S  

Acta crystallographica. Section E, Structure reports online 20090425 Pt 5

In the mol-ecule of the title compound, C(26)H(22)N(4)S(2), the pyrazole ring is oriented at a dihedral angle of 0.85 (3)° with respect to the adjacent naphthyridine ring, while the other ring of naphthyridine adopts an envelope conformation. The dihedral angle between phenyl and pyrazole rings is 87.65 (3)°. In the crystal structure, weak inter-molecular C-H⋯N inter-actions link the mol-ecules into chains. The π-π contacts between the naphthyridine rings and the naphthyridine and thio-phene rin  ...[more]

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