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

Abbassi N, Rakib el M, Hannioui A, Saadi M, El Ammari L - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Chimie Organique et Analytique, Université Sultan Moulay Slimane, Faculté des Sciences et Techniques, Béni-Mellal, BP 523, Morocco.

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.

No MeSH data available.


Related in: MedlinePlus

A view of crystal packing showing the water units linking the organic molecules in chains along the b axis.
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Fap2: A view of crystal packing showing the water units linking the organic molecules in chains along the b axis.


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

Abbassi N, Rakib el M, Hannioui A, Saadi M, El Ammari L - Acta Crystallogr Sect E Struct Rep Online (2013)

A view of crystal packing showing the water units linking the organic molecules in chains along the b axis.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569252&req=5

Fap2: A view of crystal packing showing the water units linking the organic molecules in chains along the b axis.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Chimie Organique et Analytique, Université Sultan Moulay Slimane, Faculté des Sciences et Techniques, Béni-Mellal, BP 523, Morocco.

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.

No MeSH data available.


Related in: MedlinePlus