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Crystal structure of 2-{[5-amino-1-(phenyl-sulfon-yl)-1H-pyrazol-3-yl]-oxy}-1-(4-methyl-phen-yl)ethan-1-one.

ABSTRACT: In the title compound, C₁₈H₁₇N₃O₄S, the pyrazole ring is planar, with the sulfur atom lying 0.558 (1) Å out of the ring plane. The NH₂ group is involved in an intra-molecular hydrogen bond to a sulfonyl oxygen atom; its other hydrogen atom forms an asymmetric three-centre hydrogen bond to the two oxygen atoms of the -O-CH₂-C=O- grouping, via the 2₁ screw axis, forming a ribbon structure parallel to the b axis. Translationally adjacent, coplanar ribbons form a layer parallel to (10).

SUBMITTER: Metwally NH

PROVIDER: S-EPMC8491526 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 2-{[5-amino-1-(phenyl-sulfon-yl)-1H-pyrazol-3-yl]-oxy}-1-(4-methyl-phen-yl)ethan-1-one.

Metwally Nadia H NH Elgemeie Galal H GH Jones Peter G PG

Acta crystallographica. Section E, Crystallographic communications 20210930 Pt 10

In the title compound, C18H17N3O4S, the pyrazole ring is planar, with the sulfur atom lying 0.558 (1) Å out of the ring plane. The NH2 group is involved in an intra-molecular hydrogen bond to a sulfonyl oxygen atom; its other hydrogen atom forms an asymmetric three-centre hydrogen bond to the two oxygen atoms of the -O-CH2-C=O- grouping, via the 21 screw axis, forming a ribbon structure parallel to the b a ...[more]

PMID: 34667637

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