organic compounds
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The asymmetric unit of the title compound, C13H9NO3, consists of two crystallographically independent molecules. In each molecule, the tetrahydrofuran (THF) ring adopts an envelope conformation with one of the methylene C atoms positioned at the flap. The dihedral angles between the mean plane of the THF and the benzofuran ring system are 70.85 (5) and 89.59 (6)°. In the crystal, molecules are stacked in a column along the a-axis direction through C—HO hydrogen bonds, with columns further linked by C—HN and C—HO interactions.
organic compounds
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The asymmetric unit of the triclinic polymorph of the title compound (systematic name: 4-cyanopyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate), C6H5N2+·C6HCl2O4−, consists of two crystallographically independent cation–anion units, in each of which the cation and the anion are linked by an N—HO hydrogen bond. In the units, the dihedral angles between the cation and anion rings are 78.43 (11) and 80.71 (11)°. In the crystal, each unit independently forms a chain through N—HO and O—HN hydrogen bonds; one chain runs along the c axis while the other runs along [011]. Weak C—HO, C—HN and C—HCl interactions are observed between the chains.
organic compounds
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In the title compound, C14H13ClN2O, the fused hydropyrimidine ring adopts an envelope conformation with one of the methylene C atoms at the flap. The three-membered ring is approximately perpendicular to the attached isoquinoline ring system, with a dihedral angle of 89.44 (11)°. In the crystal, molecules are linked by a weak C—Hπ interaction, forming a helical chain along the c axis.