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Crystal and Molecular Structure of 4‐methoxy‐carbonyl methyl‐2,9‐bis(phenylsulfonyl)‐1,2,3,4‐tetrahydro β‐carboline : benzene solvate
Author(s) -
Renganayaki S.,
Govindasamy L.,
Subramanian E.
Publication year - 1998
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/(sici)1521-4079(1998)33:6<963::aid-crat963>3.0.co;2-c
Subject(s) - monoclinic crystal system , benzene , moiety , chemistry , crystal structure , ring (chemistry) , crystallography , stereochemistry , indole test , organic chemistry
The crystal structure of the title compound has been determined from X‐ray diffraction data. The compound crystallizes from benzene in the monoclinic system, space group P2 1 /a, with unit cell parameters: a = 12.676(2), b = 20.333(3), c = 12.947(2) Å, β = 113.12(1)°, Z = 4, V = 3069.0(8) Å 3 . The trial structure was determined by direct methods and refined to a final R‐index of 0.044. The six‐membered heterocyclic ring adopts half‐chair conformation. Of the two phenylsulfonyl groups, the one substituted at the indole nitrogen (N1) is equatorial, while the other (at N2) is axial. The methyl acetate group is approximately perpendicular to the β‐carboline moiety.