Abstract
In the isoquinoline ring system of the title molecule, C18H20N2O5S, the fused N-heterocyclic ring is distorted towards a half-boat conformation. The methyl formate moiety is disordered over two sets of sites with refined occupancies of 0.882 (5) and 0.118 (5). In the crystal, molecules are linked via weak intermolecular C—H⋯O hydrogen bonds into one-dimensional chains along [010].
Highlights
Bruker APEXII DUO CCD areadetector diffractometerUSM, Penang, Malaysia, and bSchool of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, People’s Republic of China
In the isoquinoline ring system of the title molecule, C18H20N2O5S, the fused N-heterocyclic ring is distorted towards a half-boat conformation
The methyl formate moiety is disordered over two sets of sites with refined occupancies of
Summary
USM, Penang, Malaysia, and bSchool of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, People’s Republic of China. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 Å; disorder in main residue; R factor = 0.042; wR factor = 0.120; data-to-parameter ratio = 16.2. In the isoquinoline ring system of the title molecule, C18H20N2O5S, the fused N-heterocyclic ring is distorted towards a half-boat conformation. The methyl formate moiety is disordered over two sets of sites with refined occupancies of. Molecules are linked via weak intermolecular C—H O hydrogen bonds into onedimensional chains along [010]
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