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N-Butyl 2-(3-chloro-1,2-dihydro-pyrazin-2-yl-idene)-2-cyano-acetate.

ABSTRACT: The title compound, C(11)H(12)ClN(3)O(2), is essentially planar except for the n-but-oxy group [r.m.s. deviation from the least-squares plane = 0.0131 (1) Å for 11 non-H atoms]. An intra-molecular N-H⋯O inter-action results in the formation of an S(6) ring. The n-butoxy chain in the molecule is disordered over two sets of sites of equal occupancy.

SUBMITTER: Stefanska A

PROVIDER: S-EPMC2969917 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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n-Butyl 2-(3-chloro-1,2-dihydro-pyrazin-2-yl-idene)-2-cyano-acetate.

Stefańska Anita A Ossowski Tadeusz T Ponikiewski Lukasz L

Acta crystallographica. Section E, Structure reports online 20090815 Pt 9

The title compound, C(11)H(12)ClN(3)O(2), is essentially planar except for the n-but-oxy group [r.m.s. deviation from the least-squares plane = 0.0131 (1) Å for 11 non-H atoms]. An intra-molecular N-H⋯O inter-action results in the formation of an S(6) ring. The n-butoxy chain in the molecule is disordered over two sets of sites of equal occupancy. ...[more]

PMID: 21577566

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