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Crystal Structure Analysis of a New Coumarin Derivative
Author(s) -
Krishna R.,
Velmurugan D.,
Sundara Raj S. Shanmuga,
Fun H.K.,
Sundaram M. S.,
Raghunathan R.
Publication year - 2001
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 - 10.1002/1521-4079(200111)36:11<1289::aid-crat1289>3.0.co;2-y
Subject(s) - moiety , monoclinic crystal system , coumarin , chemistry , crystal structure , derivative (finance) , stereochemistry , crystallography , pyran , crystal (programming language) , organic chemistry , computer science , financial economics , programming language , economics
The title compound (6,6‐dimethyl‐cis‐6H,6aH,7H,12bH,13H‐bis[1]benzopyrano[4,3‐b:4',3'‐d]pyran‐13‐one) crystallizes in monoclinic space group P2 1 /c with Z = 4. The unit cell dimensions are a = 8.6231(2) Å, b =10.0260(2) Å, c = 19.8376(2) Å, and β = 102.1(1)°, V = 1674.51(5) Å 3 , D cal = 1.326 Mg/m 3 . The coumarin moiety is in the planar conformation, the dioxadecalin moiety is cis fused and within the dioxadecalin moiety both the rings are in half cahir/sofa conformations. The structure has many C‐H … O type interactions.