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2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl-idene]-3-oxopropane-nitrile.

ABSTRACT: In the title compound, C(13)H(10)Cl(2)N(2)O, the ring N atom and its three attached atoms are essentially coplanar with angles adding to 359.8°, indicating conjugation with the 2-formyl-acrylonitrile subunit. The aldehyde group is oriented to place the carbonyl O atom 2.02?(3)?Å from the N-H hydrogen atom. Intra-molecular N-H?O and C-H?Cl inter-actions occur. The geometry of the exocyclic double bond is Z. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into chains along [1[Formula: see text]0].

SUBMITTER: Helliwell M 

PROVIDER: S-EPMC3254565 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

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2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl-idene]-3-oxopropane-nitrile.

Helliwell Madeleine M   Baradarani Mehdi M MM   Mohammadnejadaghdam Razieh R   Afghan Arash A   Joule John A JA  

Acta crystallographica. Section E, Structure reports online 20111223 Pt 1

In the title compound, C(13)H(10)Cl(2)N(2)O, the ring N atom and its three attached atoms are essentially coplanar with angles adding to 359.8°, indicating conjugation with the 2-formyl-acrylonitrile subunit. The aldehyde group is oriented to place the carbonyl O atom 2.02 (3) Å from the N-H hydrogen atom. Intra-molecular N-H⋯O and C-H⋯Cl inter-actions occur. The geometry of the exocyclic double bond is Z. In the crystal, weak C-H⋯N hydrogen bonds link the mol-ecules into chains along [1[Formula  ...[more]