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Methyl (2Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(naphthalen-1-yl)prop-2-enoate.

ABSTRACT: In the title compound, C(29)H(25)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 42.1?(1) and 48.5?(1)°, respectively, with the formyl-substituted benzene ring and the naphthalene residue. In the crystal, pairs of C-H?O inter-actions lead to the formation of R(2) (2)(10) inversion dimers, which are linked by further C-H?O inter-actions into supra-molecular tapes running along [100]. The crystal packing is further stabilized by C-H?? inter-actions.

SUBMITTER: Madhanraj R

PROVIDER: S-EPMC3275017 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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Methyl (2Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(naphthalen-1-yl)prop-2-enoate.

Madhanraj R R Murugavel S S Kannan D D Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

In the title compound, C(29)H(25)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 42.1 (1) and 48.5 (1)°, respectively, with the formyl-substituted benzene ring and the naphthalene residue. In the crystal, pairs of C-H⋯O inter-actions lead to the formation of R(2) (2)(10) inversion dimers, which are linked by further C-H⋯O inter-actions into supra-molecular tapes running along [100]. The crystal packing is further stabilized by C-H⋯π inter-actions. ...[more]

PMID: 22346962

Similar Datasets

Crystal structure of methyl (2Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title compound, C26H25NO6S, the S atom shows a distorted tetra-hedral geometry, with O-S-O [119.46?(9)°] and N-S-C [107.16?(7)°] angles deviating from ideal tetra-hedral values, a fact attributed to the Thorpe-Ingold effect. The sulfonyl-bound phenyl ring forms dihedral angles of 41.1?(1) and 83.3?(1)°, respectively, with the formyl-phenyl and phenyl rings. The dihedral angle between formyl-phenyl and phenyl rings is 47.6?(1)°. The crystal packing features C-H?O hydrogen-bond inter-actions.

| S-EPMC4719993 | biostudies-literature

Methyl (2Z)-2-({N-[2-(hy-droxy-meth-yl)phen-yl]-4-methyl-benzene-sulfonamido}-meth-yl)-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(25)H(25)NO(5)S, the O atom of the hy-droxy group is disordered over two positions, with occupancies of 0.820?(2) and 0.180?(2). The sulfonyl-bound benzene ring forms dihedral angles of 31.8?(1) and 60.7?(1)°, respectively, with the hy-droxy-methyl-benzene and phenyl rings. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond, generating an S(8) ring motif. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3275177 | biostudies-literature

Methyl (Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(25)H(23)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 37.2 (1) and 67.0 (1)°, respectively, with the formyl-phenyl and phenyl rings. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯π inter-action. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a two-dimensional network in the (110) plane in which R(4) (4)(38) ring motifs are generated.

| S-EPMC3239132 | biostudies-literature

(2Z)-2-{[N-(2-Formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

Project description:In the title compound, C(25)H(22)N(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8?(2) and 81.4?(2)°, respectively, with the formyl-benzene and methyl-benzene rings. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(11) chains along the b axis. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.927?(2)?Å].

| S-EPMC3344039 | biostudies-literature

Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)meth-yl]-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title indole derivative, C22H21NO4, the dihedral angle between the benzene and pyrrole rings of indole moiety is 1.8 (1)°. The plane of the 4-meth-oxy-phenyl ring is oriented with a dihedral angle of 60.7 (1)° with respect to the plane of the indole moiety. The mol-ecular packing is stabilized by C-H⋯O hydrogen bonds which form a V-shaped chain arrangement along the bc plane of the unit cell. In addition to this, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.8102 (11) and 3.8803(12) Å], which run along the b-axis direction, stabilize the mol-ecular packing.

| S-EPMC3998543 | biostudies-literature

Methyl (2Z)-2-bromo-meth-yl-3-(3-chloro-phen-yl)prop-2-enoate.

Project description:There are two independent mol-ecules (A and B) in the asymmetric unit of the title compound C11H10BrClO2, which represents the Z isomer. The methyl-acrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in mol-ecules A and B, respectively. The benzene ring makes dihedral angles of 13.17 (7) and 27.89 (9)° with the methyl-acrylate moiety in mol-ecules A and B, respectively. The methyl-bromide moiety is almost orthogonal to the benzene ring, making dihedral angles of 81.46 (16)° in mol-ecule A and 79.61 (16)° in mol-ecule B. The methyl-acrylate moiety exhibits an extended trans conformation in both mol-ecules. In the crystal, pairs of C-H⋯O hydrogen bonds result in the formation of quasi-centrosymmetric R 2 (2)(14) AB dimers.

| S-EPMC3684935 | biostudies-literature

(Z)-3-(4-Chloro-phen-yl)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}prop-2-ene-nitrile.

Project description:In the title compound, C(24)H(19)ClN(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 38.1?(2) and 81.2?(1)°, respectively, with the formyl benzene and benzene rings. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(7) zigzag chains along [010] and R(3) (3)(19) ring motifs along [010]. The crystal packing is further stabilized by C-Cl?? inter-actions [Cl?centroid = 3.456?(2)?Å and C-Cl?centroid = 173.4?(2)°].

| S-EPMC3254413 | biostudies-literature

Methyl (2Z)-3-[(4-nitro-phen-yl)carbamo-yl]prop-2-enoate.

Project description:In the title compound, C(11)H(10)N(2)O(5), the amide group is nearly coplanar and the ester group approximately perpendicular to the vinyl C-HC=CH-C group [dihedral angles of 5.0?(2) and 88.89?(5)°, respectively]. This results in a short intra-molecular O =C?O=C contact of 2.7201?(17)?Å between the amide O atom and the ester carbonyl C atom. The prop-2-enamide fragment and the nitro group make dihedral angles of 20.42?(6) and 13.54?(17)°, respectively, with the benzene ring. An intra-molecular C-H?O inter-action between the benzene ring and the amide group generates an S(6) ring motif. Inter-molecular C-H?O and N-H?O hydrogen bonds complete R(2) (2)(11) ring motifs and join mol-ecules into [100] chains.

| S-EPMC3050372 | biostudies-literature

Crystal structure of methyl (2Z)-3-(4-chloro-phen-yl)-2-[(3-methyl-1H-indol-1-yl)meth-yl]prop-2-enoate.

Project description:In the title indole derivative, C20H18ClNO2, the chloro-phenyl ring is almost perpendicular to the indole moiety, making a dihedral angle of 87.6 (1)°. The mol-ecular packing is stabilized by C-H⋯π inter-actions, which form a C(9) chain motif along [10-1]. In addition, there are weak π-π inter-actions [centroid-centroid distance 3.851 (1) Å] between the chains, involving inversion-related chloro-phenyl rings.

| S-EPMC4459359 | biostudies-literature

Methyl (2Z)-2-bromo-methyl-3-(2,4-dichloro-phen-yl)prop-2-enoate.

Project description:In the title compound C11H9BrCl2O2, which represents the Z isomer, the methyl-acrylate moiety is essentially planar within 0.039 (2) Å and has an extended trans configuration. The benzene ring makes a dihedral angle of 28.3 (1)° with the mean plane of the methyl-acrylate moiety. The crystal packing is characterized by C-H⋯O hydrogen bonding and halogen-halogen inter-actions [Cl⋯Cl = 3.486 (3) Å], resulting in the formation of R 2 (2)(11) ring motifs and connecting the mol-ecules into chains propagating along the b axis.

| S-EPMC3629620 | biostudies-literature

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