Publication | Open Access
Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate monohydrate
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Citations
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References
2013
Year
Inorganic ChemistryCrystal StructureEngineeringCentral Indazole SystemIndazole SystemStructure ElucidationOrganic ChemistryIndazole PlaneCrystal Structure DesignMain Group ChemistryChemistryMolecular ChemistryCrystallographySynthetic ChemistryEnantioselective Synthesis
In the title compound, C(19)H(21)N(3)O(5)S·H(2)O, the central indazole system is essentially planar (r.m.s. deviation = 0.012 Å), while both the benzene ring and the mean plane defined by the non-H atoms of the ethyl propionic ester unit (r.m.s. deviation = 0.087 Å) are nearly perpendicular to the indazole plane, as indicated by the dihedral angles of 82.45 (8) and 75.62 (8)°, respectively. Consequently, the mol-ecule adopts a U-shaped geometry. In the crystal, the water mol-ecule, which is linked to the indazole system by a strong O-H⋯N hydrogen bond, is also involved in two additional N-H⋯O and O-H⋯O inter-actions, which link the organic mol-ecules into chains along the b-axis direction.
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