title: Crystal structure of Diels-Alder cycloadduct formed from 1-(1,2,3-1H-benzotriazol-1-yl)-2-(4-methylphenyl)-2H-isoindole and dimethyl acetylenedicarboxylate.
abstract: The structure of the Diels-Alder cycloadduct formed from 2-(1,2,3-1H-benzotriazol-1-yl)-2-(p-tolyl)-2H-isoindole and dimethyl acetylenedicarboxylate was proved as 11-aza-1-(1,2,3-1H-benzotriazol-1-yl)-11-(4-methylphenyl)-tricyclo-[5.2.1.0(2.7)]undeca-2,4,6.9-tetraene-9,10-dioic acid dimethyl ester. The benzotriazole moiety was located as its 1-yl form, analogous to previous reports. The benzotriazole and the benzene (of tricyclo framework) planes were twisted with an angle of 115.83 degrees. Intramolecular close contacts between benzotriazole and ester are characteristic [N(3)...C(26), 2.754(3)A; N(3)...H(22), 3.26(4)A]. The shortest contact of N(3)...H(22) accounting for the rotation of the methyl group is estimated to be 3.10 A, which might be reasonable as C-H...N-type hydrogen bonding.
authors.affiliation: Department of Applied Chemistry and Biotechnology, Faculty of Engineering, Fukui University, 3-9-1 Bunkyo, Fukui 910-8507, Japan.
authors.forename: Ichiro
authors.initials: I
authors.lastname: Takahashi
authors.forename: Mikio
authors.initials: M
authors.lastname: Tsuzuki
authors.forename: Hidehiko
authors.initials: H
authors.lastname: Kitajima
authors.forename: Minoru
authors.initials: M
authors.lastname: Hatanaka
authors.forename: Shiro
authors.initials: S
authors.lastname: Maeda
authors.forename: Akihito
authors.initials: A
authors.lastname: Yamano
authors.forename: Tomihisa
authors.initials: T
authors.lastname: Ohta
authors.forename: Shinzo
authors.initials: S
authors.lastname: Hosoi