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1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone.

ABSTRACT: In the title compound, C(8)H(11)N(3)O(2), the oxime and the acetyl groups adopt a transoid conformation, while the pyrazole H atom is localized in the proximity of the acetyl group and is cis with respect to the acetyl O atom. In the crystal, dimers are formed as the result of hydrogen-bonding inter-actions involving the pyrazole NH group of one mol-ecule and the carbonyl O atom of another. The dimers are associated into sheets via O-H?N hydrogen bonds involving the oxime hydroxyl and the unprotonated pyrazole N atom, generating a macrocyclic motif with six mol-ecules.

SUBMITTER: Malinkin S

PROVIDER: S-EPMC3201455 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone.

Malinkin Sergey S Penkova Larysa L Pavlenko Vadim A VA Haukka Matti M Pavlova Svetlana V SV

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, C(8)H(11)N(3)O(2), the oxime and the acetyl groups adopt a transoid conformation, while the pyrazole H atom is localized in the proximity of the acetyl group and is cis with respect to the acetyl O atom. In the crystal, dimers are formed as the result of hydrogen-bonding inter-actions involving the pyrazole NH group of one mol-ecule and the carbonyl O atom of another. The dimers are associated into sheets via O-H⋯N hydrogen bonds involving the oxime hydroxyl and the unprot ...[more]

PMID: 22058770

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