1,4-Di-[2-phenyl-1-diazenyl]perhydro-1,4-diazepine: X-ray crystal structure |
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Authors: | Valerio?Bertolasi Shasta?Lee?Mosher Email author" target="_blank">Keith?VaughanEmail author |
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Institution: | (1) Dipartimento di Chimica and Centro di Strutturistica Diffrattometrica, Universita di Ferrara Via L. Borsari, Ferrara, 46 44100, Italy;(2) Department of Chemistry Saint Marys, University Halifax, Nova Scotia, Canada, B3H 3C3 |
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Abstract: | 1,4-Di-2-phenyl-1-diazenyl]perhydro-1,4-diazepine (1) has been synthesized by reaction of benzenediazonium chloride with homopiperazine (perhydro-1,4-diazepine). The crystal structure of 1 has been determined by single crystal X-ray diffraction analysis. The bis-triazene (1) adopts an extended conformation which precludes any close intramolecular interaction of the phenyl rings. The heterocyclic seven-membered ring adopts a chair conformation, with the triazene side chains occupying alternate axial and equatorial positions consistent with cis-geometry. Internal torsion angles of the seven-membered ring have been measured. The crystal packing is determined by short contacts between C=H groups of phenyl rings and nitrogens of triazene moieties and by van der Waals interactions, with no evidence for intermolecular – interactions. This work establishes the structure of the product of diazonium coupling with homopiperazine as 1,4-di(E)-2-phenyl-1-diazenyl]perhydro-1,4-diazepine. Crystal data: 1 C17H20N6, monoclinic, space group P21/n, a = 9.1838(5) Å, b = 12.1095(6) Å, c = 15.0081(8) Å, = 101.320(2), V = 1636.6(2) Å,3 for Z = 4. |
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Keywords: | Triazene bis-triazene crystallography homopiperazine perhydro-1 4-diazepine |
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