X-ray Structure of a 3,4-Dihydropyrrolo[1,2-b]pyridazine Derivative

The X-ray structure of the compound dimethyl 2,7-dimethyl-pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate was determined to establish the molecular geometry and conformation of its novel 6,5-bicyclic system. The compound crystallizes in the space group P21/n with a = 7.9910(2)Å, b = 13.4005(3)Å, c = 11.7...

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Published inAnalytical Sciences ; X-ray Structure and Analysis Online Vol. 24; pp. x185 - x186
Main Authors CAIRA, Mino R., DUMITRASCU, Florea, POPA, Marcel M.
Format Journal Article
LanguageEnglish
Published Tokyo The Japan Society for Analytical Chemistry 2008
Japan Science and Technology Agency
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Summary:The X-ray structure of the compound dimethyl 2,7-dimethyl-pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate was determined to establish the molecular geometry and conformation of its novel 6,5-bicyclic system. The compound crystallizes in the space group P21/n with a = 7.9910(2)Å, b = 13.4005(3)Å, c = 11.7950(3)Å, β = 90.213(1)°, and Z = 4. A puckering analysis indicated a screw-boat conformation for the six-membered ring with the torsion angle C2-C3-C4-C5 having a magnitude of 34.5(2)°.
ISSN:1348-2238
1348-2238
1883-3578
DOI:10.2116/analscix.24.x185