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Diethyl 2-[(2-benzyl-1-phenyl-sulfonyl-1H-indol-3-yl)methyl-ene]malonate.

ABSTRACT: In the title compound, C(29)H(27)NO(6)S, the sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system [dihedral angle = 87.96 (6)°], while the benzyl-phenyl ring is oriented at an angle of 76.8 (7)°. An intra-molecular C-H⋯O hydrogen bond is observed. In the crystal structure, mol-ecules are linked into a zigzag C(10) chain along the b axis by inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Kavitha T

PROVIDER: S-EPMC2967933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diethyl 2-[(5-meth-oxy-2-methyl-1-phenyl-sulfonyl-1H-indol-3-yl)methyl-ene]malonate.

Project description:In the title compound, C(24)H(25)NO(7)S, the sulfonyl-bound phenyl ring is approximately perpendicular to the indole ring system [dihedral angle = 87.72?(5)°]. The methyl group of one of the ester units is disordered over two positions with occupancies of 0.527?(13) and 0.473?(13). An intra-molecular C-H?O hydrogen bond is observed. In the crystal structure, mol-ecules are linked into a ribbon structure running along the c axis by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions involving the pyrrole ring.

| S-EPMC2969626 | biostudies-literature

(2-Methyl-1-phenyl-sulfonyl-1H-indol-3-yl)phenyl-methyl acetate.

Project description:In the title compound, C(24)H(21)NO(4)S, the indole ring system makes dihedral angles of 77.8 (1) and 85.4 (1)°, respectively, with the S- and C-bound phenyl rings. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, a weak inter-molecular C-H⋯O hydrogen bond and a C-H⋯π inter-action are also observed.

| S-EPMC2970969 | biostudies-literature

Crystal structure of (E)-diethyl 2-[(1-phenyl-sulfonyl-1H-indol-3-yl)methyl-idene]succinate.

Project description:In the title compound, C23H23NO6S, the phenyl ring is perpendicular [dihedral angle = 89.34 (9)°] to the indole ring system. In the mol-ecule, the eth-oxy groups are each disordered over two sets of sites with occupancy ratios of 0.671 (6):0.329 (6) and 0.75 (3):0.25 (3). The mol-ecular conformation is consolidated by a weak C-H⋯O interaction, which generates an S(6) graph-set motif. The packing of the mol-ecules in the crystal structure features weak C-H⋯π inter-actions.

| S-EPMC4719962 | biostudies-literature

Diethyl 2-{[3-(2,4,6-trimethyl-benz-yl)-1-phenyl-sulfonyl-1H-indol-2-yl]methyl-idene}propane-dioate.

Project description:In the title compound, C(32)H(33)NO(6)S, the indole ring system makes dihedral angles of 62.78?(10) and 80.53?(8)°, respectively, with the phenyl and benzene rings. In the crystal, the mol-ecules are linked through inter-molecular C-H?O hydrogen bonds, forming a chain along the a axis. Between the chains, a weak aromatic ?-? stacking inter-action [centroid-centroid distance = 3.831?(2)?Å] is observed.

| S-EPMC2979489 | biostudies-literature

(2-Methyl-1-phenyl-sulfonyl-1H-indol-3-yl)methanol.

Project description:In the title compound, C(16)H(15)NO(3)S, the plane of the phenyl ring forms a dihedral angle of 80.37?(8)° with the indole ring system. The crystal packing is stabilized by weak O-H?O hydrogen bonds which link the mol-ecules into infinite chains along the a axis of the crystal.

| S-EPMC2960400 | biostudies-literature

Diethyl [(3-cyano-1-phenyl-sulfonyl-1H-indol-2-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(20)H(21)N(2)O(5)PS, the indole ring is essentially planar, with a maximum deviation of -0.0083?(18)?Å. The methyl C atom of the methyl-phospho-nate group and the S atom lie 0.104?(2) and -0.2158?(6)?Å, respectively, from the indole mean plane. The sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system, with a dihedral angle of 82.30?(8)°. The ethyl side chains are disordered over two sets of sites, with occupancy factors of 0.737?(5)/0.263?(5) and 0.529?(11)/0.471?(11). In the crystal, mol-ecules are linked into centrosymmetric dimers via C-H?O hydrogen bonds, resulting in an R(2) (2)(18) graph-set motif. The crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC3100058 | biostudies-literature

(3-Phenyl-sulfanyl-1-phenyl-sulfonyl-1H-indol-2-yl)methyl acetate.

Project description:In the title compound, C(23)H(19)NO(4)S(2), the indole ring system makes dihedral angles of 89.6 (1) and 84.5 (8)° with the phenyl-sulfonyl and phenyl-sulfanyl rings, respectively. In the crystal, the mol-ecules are linked into C(10) chains running along the c axis by an inter-molecular C-H⋯O hydrogen bond. In addition, the crystal packing is stabilized by C-H⋯π inter-actions.

| S-EPMC3089099 | biostudies-literature

Phen-yl(3-methyl-1-phenyl-sulfonyl-1H-indol-2-yl)methanone.

Project description:In the title compound, C(22)H(17)NO(3)S, the N atom of the indole ring system deviates by 0.031?(3)?Å from a least-squares plane fitted through all nine non-H ring atoms. The geometry around the S atom can be described as distorted tetra-hedral. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-Csp(2) bond lengths are longer than the typical mean value for N atoms with a planar configuration.

| S-EPMC3089169 | biostudies-literature

(E)-Methyl 3-(2-methyl-1-phenyl-sulfonyl-1H-indol-3-yl)but-2-enoate.

Project description:In the title compound, C(20)H(19)NO(4)S, the indole ring system is planar [r.m.s. deviation = 0.023?(2)?Å]. The sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system [dihedral angle = 86.75?(7)°]. The ester group is almost planar (r.m.s. deviation = 0.030?Å) and is oriented at an angle of 62.53?(5)° with respect to the indole ring system. Mol-ecules are linked into a two-dimensional network parallel to the ab plane by inter-molecular C-H?O hydrogen bonds.

| S-EPMC2968289 | biostudies-literature

Phen-yl(1-phenyl-sulfonyl-1H-indol-2-yl)methanone.

Project description:The asymmetric unit of the title compound, C(21)H(15)NO(3)S, contains two crystallographically independent mol-ecules. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-Csp(2) bond lengths are slightly longer than the anti-cipated value of approximately 1.35 Å for N atoms with planar configurations. Both unique S atoms have a distorted tetra-hedral configuration. In each mol-ecule, the indole ring system is essentially planar (r.m.s. deviations for all non-H atoms of 0.020 and 0.023 Å). In one mol-ecule, the indole ring system makes dihedral angles of 65.7 (8) and 73.4 (8)°, respectively, with the benzene and phenyl rings [62.2 (7) and 72.1 (7)°, respectively, in the other mol-ecule].

| S-EPMC3099964 | biostudies-literature

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