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Gieren, Alfred; Betz, Helmut; Hübner, Thomas; Lamm, Viktor; Neidlein, Richard; Droste, Dao

Die Kristallstrukturen des Benzo[1.2-c:3.4-cʹ]bis[1.2.5]thiadiazols und des semihomologen [1.2.5]Selenadiazolo[3.4-e]-2.1.3-benzothiadiazols [1]/The Crystal Structures of the Benzo [1,2-c : 3,4-cʹ]bis[1,2,5]thiadiazole and of the Semihomologous [1,2,5]Selenadiazolo[3,4-e]-2,1,3-benzothiadiazole [1]

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  • Media type: E-Article
  • Title: Die Kristallstrukturen des Benzo[1.2-c:3.4-cʹ]bis[1.2.5]thiadiazols und des semihomologen [1.2.5]Selenadiazolo[3.4-e]-2.1.3-benzothiadiazols [1]/The Crystal Structures of the Benzo [1,2-c : 3,4-cʹ]bis[1,2,5]thiadiazole and of the Semihomologous [1,2,5]Selenadiazolo[3,4-e]-2,1,3-benzothiadiazole [1]
  • Contributor: Gieren, Alfred; Betz, Helmut; Hübner, Thomas; Lamm, Viktor; Neidlein, Richard; Droste, Dao
  • imprint: Walter de Gruyter GmbH, 1984
  • Published in: Zeitschrift für Naturforschung B
  • Language: English
  • DOI: 10.1515/znb-1984-0413
  • ISSN: 1865-7117; 0932-0776
  • Keywords: General Chemistry
  • Origination:
  • Footnote:
  • Description: <jats:p>The X-ray structure analyses of the title compounds 1 and 2 were performed. 1: monoclinic, C 2/c, a = 9.532(2), b = 11.469(2), c = 7.030(3) Å, β = 110.58(2)°, Z = 4; 2: monoclinic, P2<jats:sub>1</jats:sub>/a, a = 7.650(2), b = 7.729(2), c = 12.948(3) Å, β = 74.26(2)°, Z = 4. The structure of 1 was solved by direct methods, that of 2 by Patterson- and successive Fourier-synthesis techniques. The least squares refinement converged for 894 independent reflections with I &gt; 2δ<jats:sub>I</jats:sub> to an R-value of 0.032 (R<jats:sub>w</jats:sub> = 0.035) in the case of 1 and for 1440 independent reflections to an R-value of 0.045 (R<jats:sub>w</jats:sub> = 0.045) in the case of 2. The bond lengths in the [1,2,5]thiadiazole rings in 1 and 2 and also in the Se-homologous ring in 2 indicate to a quasi-aromatic π-system, whereas the aromatic character of the central benzene ring in 1 and 2 is strongly disturbed. The substitution of one S by the homologous Se in 2 induces significant changes of comparable bond lengths in 1 and 2. In the crystal structures of both compounds molecular layers and columnar stacks are formed. Quasipolymers in form of ribbon like structures are established in 1 by short S···N contacts and in 2 by short Se···N contacts. In 2 (SeN<jats:sub>2</jats:sub>)<jats:sub>x</jats:sub>-chains are formed.</jats:p>
  • Access State: Open Access