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The structures of N-( t-butoxycarbonyl)-3-methylbenz[ f]indole and N-benzenesulfonyl-4-bromo-3-methylbenz[ f]indole.

Authors :
Yokum, T.
Morales, Guillermo
Gauthier, Ted
Fronczek, Frank
Source :
Journal of Chemical Crystallography; Apr1997, Vol. 27 Issue 4, p241-245, 5p
Publication Year :
1997

Abstract

N-(t-butoxycarbonyl)-3-methylbenz[ f]indole, 1, C<subscript>18</subscript>H<subscript>19</subscript>NO<subscript>2</subscript>, crystallizes in orthorhombic space group Pna2<subscript>1</subscript> with a=6.0338(2), b=24.839(4), c=10.2481(7) Å, V=1535.9(3) Å<superscript>3</superscript>, Z=4. The structure was refined to R=0.051 for 2007 observed reflections. The benz[ f]indole ring system is nearly planar, exhibiting mean deviation of 0.048 Å. The ester plane of the t-butoxycarbonyl substituent is nearly coplanar with the benz[ f]indole ring system, forming a C−N−C=O torsion angle with magnitude 10.6(5)<superscript>0</superscript>. N-benzenesulfonyl-4-bromo-3-methyl-benz[ f]indole, 2, C<subscript>19</subscript>H<subscript>14</subscript>BrNO<subscript>2</subscript>S crystallizes in triclinic space group P−1 with a=8.1400(5), b=10.0587(8), c=10.8863(7) Å, α=89.927(7), β=110.495(5), γ=96.846(6)<superscript>0</superscript>, V=828.2(3) Å<superscript>3</superscript>, Z=2. The structure was refined to R=0.050 for 2653 observed reflections. The benz[ f]indole ring system is nearly planar, with mean deviation 0.016 Å, and forms a dihedral angle of 80.93(9)<superscript>0</superscript> with the phenyl plane. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
10741542
Volume :
27
Issue :
4
Database :
Complementary Index
Journal :
Journal of Chemical Crystallography
Publication Type :
Academic Journal
Accession number :
51569279
Full Text :
https://doi.org/10.1007/BF02575962