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1-Methyl-3,5-bis-(3-methyl-phen-yl)benzene.

ABSTRACT: In the title compound, C(21)H(20), the dihedral angles formed by the central benzene ring with the outer benzene rings are 21.43?(6) and 31.70?(4)°. The crystal packing is stabilized by a weak ?-? stacking inter-action, with a centroid-centroid distance of 3.843?(3)?Å.

SUBMITTER: Xia DG

PROVIDER: S-EPMC3007405 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1-Methyl-3,5-bis-(3-methyl-phen-yl)benzene.

Xia Dong-Guo DG Lei Ke-Wei KW Li Jie J Su Zheng-Yu ZY

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

In the title compound, C(21)H(20), the dihedral angles formed by the central benzene ring with the outer benzene rings are 21.43 (6) and 31.70 (4)°. The crystal packing is stabilized by a weak π-π stacking inter-action, with a centroid-centroid distance of 3.843 (3) Å. ...[more]

PMID: 21588247

Similar Datasets

Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [Cg⋯Cg = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded R22(8) loops are inter-connected via π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H⋯π inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

| S-EPMC5418781 | biostudies-literature

1,3-Bis(3,5-dimethyl-phen-yl)-5-methyl-benzene.

Project description:In the title compound, C(23)H(24), the dihedral angles formed by the central benzene ring with the peripheral benzene rings are 29.90?(5) and 34.95?(5)°. The crystal packing is stabilized by ?-? stacking inter-actions with centroid-centroid distances of 3.815?(4)?Å.

| S-EPMC3006812 | biostudies-other

N-(3,5-Dimethyl-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(15)H(17)NO(2)S, the dihedral angle between the two aromatic rings is 53.9?(1)°. The crystal structure features inversion-related dimers linked by N-H?O hydrogen bonds.

| S-EPMC2980205 | biostudies-literature

N-(3,5-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(13)H(11)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the SO bonds. The two benzene rings are tilted by 79.6?(1)° relative to each other. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

| S-EPMC2970379 | biostudies-literature

4-Chloro-N-(3,5-dichloro-phen-yl)-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C(13)H(10)Cl(3)NO(2)S, torsion angle of the C-SO(2)-NH-C group in the mol-ecule is -58.57?(26)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 84.2?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3247457 | biostudies-literature

1,4-Bis[(3,5-dimethoxy-phen-yl)ethyn-yl]benzene.

Project description:The title compound, C(26)H(22)O(4), is a derivative of 1,4-bis-(phenyl-ethyn-yl)benzene substituted by four meth-oxy groups on the terminal benzene rings. The mol-ecule is almost planar with an r.m.s. deviation of 0.266?Å. The dihedral angles between the two terminal benzene rings and the central benzene ring are 7.96?(6) and 13.32?(7)°. In the crystal structure, mol-ecules aggregate via C-H?O inter-actions, forming mol-ecular tapes along the a axis, which aggregate to form a herring-bone structure.

| S-EPMC2968219 | biostudies-other

1,3-Bis{[(4-methyl-phen-yl)sulfon-yl]-oxy}propan-2-yl 4-methyl-benzene-sulfonate.

Project description:In the title sulfonate derivative, C(24)H(26)O(9)S(3), all atoms apart from those of one of the 4-methyl-benzene-sulfonate residues lie approximately in a disc; the dihedral angles between the approximately orthogonal benzene ring and those in the plane are 74.53 (9) and 67.79 (11)°. In the crystal, mol-ecules are consolidated into the three-dimensional architecture by C-H⋯O inter-actions. One of the 4-methyl-benzene-sulfonate residues is disordered over two almost parallel positions; the major component refined to a site-occupancy factor of 0.918 (2).

| S-EPMC3297952 | biostudies-literature

Methyl 3,5-bis-[(4-hydroxy-methyl-2-methoxy-phen-oxy)meth-yl]benzoate.

Project description:In the title compound, C(26)H(28)O(8), the central aromatic ring forms dihedral angles of 24.32?(11) and 80.19?(7)° with the two adjoining vanillyl alcohol rings. In the crystal, O-H?O hydrogen bonds connect the mol-ecules, forming a hydrogen-bonded sheet-like motif extended in the ab plane.

| S-EPMC2983507 | biostudies-literature

N-(3,5-Dichloro-phen-yl)benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(12)H(9)Cl(2)NO(2)S, the aromatic rings are aligned at 57.0?(1)°. The mol-ecules form chains via inter-molecular N-H?O hydrogen bonds.

| S-EPMC2959669 | biostudies-literature

N-(3,5-Dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(14)H(15)NO(2)S, the mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of 67.9 (2)°. The two benzene rings are tilted by 54.6 (1)° relative to each other. In the crystal, inter-molecular N-H⋯O hydrogen bonds pack the mol-ecules into a supra-molecular structure.

| S-EPMC2971996 | biostudies-literature

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