Methyl 4-((E)- 2-{3-[(3 - {( E)- 2-[ 4-( methoxycarbonyl) phenyl]- 1-diazenyl}-5, 5-dimethyl hexahydro-1-pyrimidinyl) methyl]- 5, 5-dimethylhexahydro-1- pyrimidinyl}-1-diazenyl) benzoate ( 1) has been synthesized by reaction of a mixture of formaldehyde and 2,2- dimethyl-1,3-propanediamine with p-methoxycarbonylbenzenediazonium chloride. The crystal structure of 1 has been determined by single crystal X-ray diffraction analysis. The crystals of 1 displayed problems of disorder; the asymmetric unit is built up by two independent molecules, which display disorder within a methoxycarbonyl group. The two independent molecules in the asymmetric unit are very similar, differing only slightly about the mutual orientation of the aryltriazenyl groups. With respect to the N-C-N bridge between the hexahydropyrimidinyl rings, the two equivalent fragments containing the triazene moieties are in a cis orientation. The N-N single bonds, in the range 1.319( 4) - 1.348( 4) &ANGS;, and the N=N double bonds, in the range 1.255( 5) - 1.275( 4) &ANGS;, indicate significant conjugations within the triazene moieties. All the hexahydropyrimidine six-membered rings adopt a chair conformation as shown by their puckering parameters. The crystal packing is determined only by simple van der Waals interactions. The crystal structure of 1 is compared with the previously reported structure of the unbranched hexahydropyrimidine analogue 2.

Methyl 4-((E)-2-{3-[(3-{ (E)-2-[4-(methoxycarbonyl)phenyl]-1-diazenyl}-5,5-dimethylhexahydro-1-pyrimidinyl)methyl]-5,5-dimethylhexahydro-1-pyrimidinyl}-1-diazenyl) benzoate. X-ray crystal structure

BERTOLASI, Valerio;
2005

Abstract

Methyl 4-((E)- 2-{3-[(3 - {( E)- 2-[ 4-( methoxycarbonyl) phenyl]- 1-diazenyl}-5, 5-dimethyl hexahydro-1-pyrimidinyl) methyl]- 5, 5-dimethylhexahydro-1- pyrimidinyl}-1-diazenyl) benzoate ( 1) has been synthesized by reaction of a mixture of formaldehyde and 2,2- dimethyl-1,3-propanediamine with p-methoxycarbonylbenzenediazonium chloride. The crystal structure of 1 has been determined by single crystal X-ray diffraction analysis. The crystals of 1 displayed problems of disorder; the asymmetric unit is built up by two independent molecules, which display disorder within a methoxycarbonyl group. The two independent molecules in the asymmetric unit are very similar, differing only slightly about the mutual orientation of the aryltriazenyl groups. With respect to the N-C-N bridge between the hexahydropyrimidinyl rings, the two equivalent fragments containing the triazene moieties are in a cis orientation. The N-N single bonds, in the range 1.319( 4) - 1.348( 4) &ANGS;, and the N=N double bonds, in the range 1.255( 5) - 1.275( 4) &ANGS;, indicate significant conjugations within the triazene moieties. All the hexahydropyrimidine six-membered rings adopt a chair conformation as shown by their puckering parameters. The crystal packing is determined only by simple van der Waals interactions. The crystal structure of 1 is compared with the previously reported structure of the unbranched hexahydropyrimidine analogue 2.
2005
Moser, S. L.; Bertolasi, Valerio; Vaughan, K.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/519523
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