10-Methyl-8,9,10,11,11a,12-hexahydro-5H,7H-isoquinolino[3,2-g][1,3,5]triazepine-7,11-dione

Abstract

Key indicatorsSingle-crystal X-ray study T = 293 K Mean (C-C) = 0.004 Å R factor = 0.045 wR factor = 0.117 Data-to-parameter ratio = 9.6For details of how these key indicators were automatically derived from the article, see

7-Isopropyl-5-methyl-1,3,5-triazepan-2,6-dione deuterated chloroform 0.94-solvate

“…The title compound presents the same structural characteristics as observed in other 1,3,5-triazepan-2,6-diones (Lena, Lallemand et al, 2006;Lena, Wenger et al, 2006;Schaffner et al, 2006): the triazepan ring adopts a twisted boat conformation TB (Boessenkool & Boyens, 1980) with a dihedral angle between the amide and urea planes of 111.27 (4) and 110.81 (4) in molecules A and B, respectively. This conformation leads to short (less than 2 Å ) intramolecular H2Á Á ÁH52 contacts through the C2(H2)Á Á Á C5(H52) axis linking both halves.…”

Synthetic Methods for the Preparation of Triazepandiones and Review of their Applications

“…Crystal structures have been reported for compounds 118a,m [46], 118c [47], 118h [48], 118k,l,n,p,r, 120a,i, 121a and 122c [43]. Supramolecular organization of compounds 118a and 118m showed a remarkable formation of helical H-bonded molecular tapes that Scheme 23.…”

Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes

“…1). 14,15 These observations suggested to us that triazepandiones 1, depending on the pattern of R 1 -R 3 substituents and subject to the participation of N 1 H in the formation of R( 22 )8 dimers (type I9 or II), could eventually pack into non-planar (e.g. helical) H-bonded tapes relevant to the elaboration of diverse and complex supramolecular architectures.…”