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(E)-2-Cyano-3-(2,3-dimeth-oxy-phen-yl)acrylic acid.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(11)NO(4), contains two mol-ecules. In the crystal, neighbouring mol-ecules are linked together by O-H?O hydrogen bonds into dimers. The dimers are arranged into columns parallel to the a axis, meditated by ?-? inter-actions [centroid-centroid distances = 3.856?(3) and 3.857?(3)?Å]. The crystal structure is further stabilized by weak inter-molecular C-H?O inter-actions. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.657?(11):0.343?(11).

SUBMITTER: Khalaji AD 

PROVIDER: S-EPMC3239130 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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(E)-2-Cyano-3-(2,3-dimeth-oxy-phen-yl)acrylic acid.

Khalaji Aliakbar Dehno AD   Fejfarová Karla K   Dušek Michal M  

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

The asymmetric unit of the title compound, C(12)H(11)NO(4), contains two mol-ecules. In the crystal, neighbouring mol-ecules are linked together by O-H⋯O hydrogen bonds into dimers. The dimers are arranged into columns parallel to the a axis, meditated by π-π inter-actions [centroid-centroid distances = 3.856 (3) and 3.857 (3) Å]. The crystal structure is further stabilized by weak inter-molecular C-H⋯O inter-actions. The crystal studied was a non-merohedral twin with a ratio of the twin compone  ...[more]

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