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Crystal structure and spectroscopic study of methyl (Z)-6-anilino-4-cyano-2,3-dimethoxy-6-azapentafulvene-1-carboxylate

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Abstract

The molecular and crystal structures of the title compound have been determined. The crystals are monoclinic: C2/c (15),a=21.787(7),b=7.025(6),c=20.165(8) Å,β=96.03(2)°,V c =3069 Å3,Z=8,D x=1.36 mg m−3, λ=(Mo Kα)=0.71069 Å. The structure was solved by direct methods and refined with 1484 reflections to a finalR value of 0.057. Mass and spectral data (ir, uv,1H and13C nmr) are also reported. The structure appears to be polyolefinic having two independent push-pull systems on the fulvenic ring.

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Authors and Affiliations

  1. Universidad Autónoma de Barcelona, Area de Cristalografía, 08193, Bellaterra, Spain

    J. F. Piniella

  2. Institut de Ciència de Materials de Barcelona (CSIC), Martí i Franquès s/n. Apartado de Correos 30102, 08028, Barcelona, Spain

    J. Rius

  3. Departamento de Química Orgánica, Institute Químico de Sarriá, 08017, Barcelona, Spain

    A. Alvarez-Larena, X. Batllori & P. Victory

Authors
  1. J. F. Piniella
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  2. J. Rius
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  3. A. Alvarez-Larena
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  4. X. Batllori
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  5. P. Victory
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Piniella, J.F., Rius, J., Alvarez-Larena, A. et al. Crystal structure and spectroscopic study of methyl (Z)-6-anilino-4-cyano-2,3-dimethoxy-6-azapentafulvene-1-carboxylate. Journal of Crystallographic and Spectroscopic Research 21, 489–494 (1991). https://doi.org/10.1007/BF01160664

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  • DOI: https://doi.org/10.1007/BF01160664

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