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Crystal structure of 1,3 diphenyl-5-carbethoxymethylene-1H-4,5-dihydro-1,2,4-benzotriazepine

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Abstract

C24H21N3O2 is orthorhombic,P212121,a = 15.1342(3),b = 14.1692(3),c = 9.6533(3) Å,Z = 4,D m = 1.23 g cm−3. The structure was solved by direct methods, and refined to anR of 0.048 (R w = 0.068) for 1831 observed reflections. An intramolecular hydrogen bond is present. The conformation of the seven membered ring is boatlike with a quasi-mirror plane through N(1).

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Authors and Affiliations

  1. Instituto de Quimica-Fisica “Rocasolano” C.S.I.C., Serrano 119, Madrid 6, Spain

    A. Pérez-Salazar, F. H. Cano & S. García-Blanco

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  1. A. Pérez-Salazar
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  2. F. H. Cano
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  3. S. García-Blanco
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Pérez-Salazar, A., Cano, F.H. & García-Blanco, S. Crystal structure of 1,3 diphenyl-5-carbethoxymethylene-1H-4,5-dihydro-1,2,4-benzotriazepine. Journal of Crystal and Molecular Structure 9, 317–323 (1979). https://doi.org/10.1007/BF01200524

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  • DOI: https://doi.org/10.1007/BF01200524

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