cis-6-Phenyl-4bH,6H,11H,13H-isoin-dolo[1,2-c]benz[2,4]oxazepin-13-one

被引:5
作者
Lokaj, J
Kettmann, V
Marchalin, S
Sikoraiova, J
机构
[1] Comenius Univ, Fac Pharm, Bratislava 83232, Slovakia
[2] Slovak Univ Technol Bratislava, Fac Chem Technol, Bratislava 81237, Slovakia
关键词
Conformations - Crystal structure - Hydrogen bonds - Molecular structure - Molecules - Stereochemistry - Substitution reactions - Synthesis (chemical);
D O I
10.1107/S0108270101003870
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The title compound, C22H17NO2, contains an isoindolinone moiety joined to a phenyl-substituted benzoxazepine ring. The isoindolinone moiety is essentially planar and the oxazepine ring adopts a distorted chair conformation, with the phenyl substituent equatorial. Owing to the severe puckering of the central oxazepine ring, the molecule as a whole is non-planar; the benzene ring of the benzoxazepine fragment makes an angle of 67.7 (1)degrees with respect to the isoindoline ring.
引用
收藏
页码:735 / 736
页数:2
相关论文
共 12 条
  • [1] ALLEN FH, 1993, CHEM DESIGN AUTOMATI, V8, P1
  • [2] BARRETT DMY, 1995, J ORG CHEM, V60, P4946
  • [3] SOLID-STATE GEOMETRY AND CONFORMATION OF LINEAR, DIASTEREOISOMERIC OLIGOPROLINES
    BENEDETTI, E
    BAVOSO, A
    DIBLASIO, B
    PAVONE, V
    PEDONE, C
    TONIOLO, C
    BONORA, GM
    [J]. BIOPOLYMERS, 1983, 22 (01) : 305 - 317
  • [4] GENERAL DEFINITION OF RING PUCKERING COORDINATES
    CREMER, D
    POPLE, JA
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1354 - 1358
  • [5] Pharmacophore/receptor models for GABAA/BzR subtypes (α1β3γ2, α5β3γ2, and α6β3γ2) via a comprehensive ligand-mapping approach
    Huang, Q
    He, XH
    Ma, CR
    Liu, RY
    Yu, S
    Dayer, CA
    Wenger, GR
    McKernan, R
    Cook, JM
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (01) : 71 - 95
  • [6] Johnson C. K., 1976, ORNL5138
  • [7] N-benzyl-3-benzylideneisoindolin-1-one
    Khan, MW
    Guha, S
    Mukherjee, AK
    Kundu, NG
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1998, 54 : 119 - 120
  • [8] 2,3-dihydro-3-phenyl-1H-isoindol-1-one at 220 K
    McNab, H
    Parsons, S
    Shannon, DA
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1997, 53 : 1098 - 1099
  • [10] PAVELCIK F, 1987, XP21