Ts. Yokum et al., THE STRUCTURES OF N-(T-BUTOXYCARBONYL)-3-METHYLBENZ[F]INDOLE AND N-BENZENESULFONYL-4-BROMO-3-METHYLBENZ[F]INDOLE, Journal of chemical crystallography, 27(4), 1997, pp. 241-245
N-(t-butoxycarbonyl)-3-methylbenz[f]indole, 1, C18H19NO2, crystallizes
in orthorhombic space group Pna2(1) with a = 6.0338(2), b = 24.839(4)
, c = 10.2481(7) Angstrom, V = 1535.9(3) Angstrom 3, Z = 4. The struct
ure was refined to R = 0.051 for 2007 observed reflections. The benz[f
]indole ring system is nearly planar, exhibiting mean deviation of 0.0
48 Angstrom. The ester plane of the t-butoxycarbonyl substituent is ne
arly coplanar with the benz[f]indole ring system, forming a C-N-C=O to
rsion angle with magnitude 10.6(5)degrees. N-benzenesulfonyl-4-bromo-3
-methyl-benz[f]indole, 2, C19H14BrNO2S crystallizes in triclinic space
group P (1) over bar with a = 8.1400(5), b = 10.0587(8), c = 10.8863(
7) Angstrom, alpha = 89.927(7), beta = 110.495(5), gamma = 96.846(6)de
grees, V = 828.2(3) Angstrom(3), 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 Angstrom, and forms a dihe
dral angle of 80.93(9)degrees with the phenyl plane.