Unknown

Dataset Information

0

Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1H-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1H-indole.


ABSTRACT: In the title indole derivatives, C22H16N2O5S, (I) and C20H15NO3S2, (II), the sulfonyl-bound phenyl rings are almost orthogonal to the indole ring system, subtending dihedral angles of 88.33?(10) and 87.58?(16)°, respectively. In both compounds, the sulfonyl S atom has a distorted tetra-hedral geometry [O-S-O = 119.98?(9) and N-S-C = 104.01?(8)° for compound (I) and O-S-O = 120.08?(18) and N-S-C = 104.91?(14)° for compound (II)] and the sum of the bond angles at N indicates sp2 hybridization. The mol-ecules of both (I) and (II) feature intra-molecular C-H?O hydrogen bonds that generate S(6) ring motifs with the sulfone O atom. In the crystals, mol-ecules of (I) are linked by C-H-O hydrogen bonds, forming R44(18) ring motifs while mol-ecules of (II) are linked by C-H-O and C-H-S hydrogen bonds, forming R22(12) ring motifs. Compound (II) was refined as an inversion twin.

SUBMITTER: Dhanalakshmi G 

PROVIDER: S-EPMC5730317 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature

altmetric image

Publications

Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.

Dhanalakshmi G G   Saravanan Velu V   Mohanakrishnan Arasambattu K AK   Aravindhan S S  

Acta crystallographica. Section E, Crystallographic communications 20170929 Pt 10


In the title indole derivatives, C<sub>22</sub>H<sub>16</sub>N<sub>2</sub>O<sub>5</sub>S, (I) and C<sub>20</sub>H<sub>15</sub>NO<sub>3</sub>S<sub>2</sub>, (II), the sulfonyl-bound phenyl rings are almost orthogonal to the indole ring system, subtending dihedral angles of 88.33 (10) and 87.58 (16)°, respectively. In both compounds, the sulfonyl S atom has a distorted tetra-hedral geometry [O-S-O = 119.98 (9) and N-S-C = 104.01 (8)° for compound (I) and O-S-O = 120.08 (18) and N-S-C = 104.91 (14)°  ...[more]

Similar Datasets

| S-EPMC2983115 | biostudies-literature
| S-EPMC3885058 | biostudies-literature
| S-EPMC5418781 | biostudies-literature
| S-EPMC2960022 | biostudies-literature
| S-EPMC3998289 | biostudies-literature
| S-EPMC3919547 | biostudies-literature
| S-EPMC3414284 | biostudies-literature
| S-EPMC4051026 | biostudies-literature
| S-EPMC3009299 | biostudies-literature
| S-EPMC2983977 | biostudies-literature