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Ethyl 3-[6-(4-meth-oxy-benzene-sulfon-amido)-2H-indazol-2-yl]propano-ate monohydrate.

ABSTRACT: 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.

SUBMITTER: Abbassi N

PROVIDER: S-EPMC3569252 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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Ethyl 3-[6-(4-meth-oxy-benzene-sulfon-amido)-2H-indazol-2-yl]propano-ate monohydrate.

Abbassi Najat N Rakib El Mostapha el M Hannioui Abdellah A Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20130109 Pt 2

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 link ...[more]

PMID: 23424475

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