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2-(3,4-Dimeth-oxy-phen-yl)-1H-benzimidazole.

ABSTRACT: In title compound, C(15)H(14)N(2)O(2), the dihedral angle between the 3,4-dimeth-oxy-phenyl group and the benzimidazole system is 26.47 (6)°. In the crystal, neighbouring mol-ecules are linked by N-H⋯N hydrogen bonds into C(4) chains propagating along the c-axis direction. The crystal structure also features weak C-H⋯O inter-actions.

SUBMITTER: Khalaji AD

PROVIDER: S-EPMC3238911 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.

Project description:Two crystallographically independent mol-ecules, A and B, with similar conformations are present in the asymmetric unit of the title compound, C(18)H(16)F(2)N(4)O(4). In mol-ecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4-difluoro-meth-oxy-substituted and the 3,4-dimeth-oxy-substituted benzene rings by 6.5 (2) and 16.4 (1)°, respectively. The -CHF(2) group is twisted away from the plane of the benzene ring, with a dihedral angle between the O-C bond of the OCHF(2) group and the plane of the adjacent phenyl ring of 38.6 (3)°. The corresponding parameters for mol-ecule B are 7.7 (1), 9.5 (2) and 25.2 (2)°. In both mol-ecules, the conformations are stabilized by intra-molecular N-H⋯N and C-H⋯O hydrogen bonds. There are also C-H⋯π contacts between the methyl groups and the benzene rings, and π-π stacking inter-actions between the benzene rings of adjacent parallel A mol-ecules [centroid-centroid distance = 3.8942 (17) Å]. π-π inter-actions are also observed between the triazole ring and one of the benzene rings of parallel B mol-ecules [centroid-centroid distance = 3.7055 (16) Å].

| S-EPMC3007844 | biostudies-literature

(3,4-Dimeth-oxy-phen-yl)(4-fluoro-phen-yl)methanone.

Project description:In the title compound, C(15)H(13)FO(3), the dihedral angle between the two aromatic rings is 52.78?(8)°. In the crystal, inter-molecular C-H?O hydrogen bonds link mol-ecules into chains running parallel to the c axis.

| S-EPMC3006767 | biostudies-literature

(E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(19)H(20)O(5), is approximately planar; the dihedral angle between the benzene rings is 3.82?(8)°, and the central propenone C(=O)-C=C plane makes dihedral angles of 1.95?(10) and 3.17?(11)° with the two benzene rings. In the crystal structure, intra- and inter-molecular C-H?O hydrogen bonds are observed.

| S-EPMC3009186 | biostudies-literature

2-(3,4-Di-fluoro-phen-yl)-1H-benzimidazole.

Project description:In the title mol-ecule, C13H8F2N2, the dihedral angle between the benzimidazole ring system and the di-fluoro-substituted benzene ring is 30.0?(1)°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming chains along [010]. In addition, weak C-H?F hydrogen bonds connect chains into a two-dimensional network parallel to (001). A weak C-H?? inter-action is observed between an H atom of the benzimidazole ring sytem and the ? system of the di-fluoro-substituted benzene ring.

| S-EPMC3884342 | biostudies-literature

2-(3,4-Dimeth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:In the title compound, C(26)H(24)N(2)O(2), the planar 1H-imidazole ring makes dihedral angles of 35.78?(4), 26.35?(5) and 69.75?(5)°, respectively, with the dimeth-oxy-phenyl ring and the phenyl rings in the 4- and 5-positions. In the crystal, C-H?O hydrogen bonds connect neighbouring mol-ecules, forming infinite chains running along the b axis. Furthermore, the crystal structure exhibits a C-H-?? inter-action between a methyl H atom and a phenyl ring from an adjacent mol-ecule.

| S-EPMC3470344 | biostudies-literature

(3,4-Dimeth-oxy-phen-yl)[2-(thio-phen-2-ylcarbon-yl)phen-yl]methanone.

Project description:In the title compound, C(20)H(16)O(4)S, the thiophene ring makes dihedral angles of 72.9?(2) and 60.5?(2)°, respectively, with the dimethoxy benzene and phenyl rings. In the crystal, C-H?O hydrogen bonds link the mol-ecules into a C(9) chain along the b axis. The S and C atoms of the thio-phene ring are disordered over two sets of sites [site occupancies = 0.675?(3) and 0.325?(3)]. A short inter-molecular S?O contact [3.084?(2)?Å] is observed in the crystal structure, which also features C-H?? inter-actions.

| S-EPMC3470204 | biostudies-literature

2-(2-Chloro-phen-yl)-3-(3,4-dimeth-oxy-phen-yl)quinoxaline.

Project description:The title compound, C(22)H(17)ClN(2)O(2), was synthesized by the condensation reaction between 1,2-phenyl-enediamine and 2-chloro-3',4'-dimeth-oxy-benzil in boiling acetic acid. The chloro-phenyl and dimeth-oxy-phenyl rings make dihedral angles of 78.45 (5) and 35.60 (4)°, respectively, with the quinoxaline unit.

| S-EPMC3007581 | biostudies-literature

1-(3,4-Dimeth-oxy-phen-yl)propan-1-one.

Project description:The title compound, C(11)H(14)O(3), was isolated from the stems of Trigonostemon xyphophylloides, which belongs to Trigonostemon genus of Euphorbiaceae. The plants in this genus were used in folk medicine, such as for the treatment of diseases caused by viruses and fungi. The limited investigation of the chemistry of this plant prompted an examination of constituents of its twigs, from which the title compound was isolated. The mol-ecule is approximately planar with an r.m.s. deviation of 0.1237Å. In the crystal, inter-molecular C-H⋯O hydrogen bonds connect the mol-ecules into a two-dimensional network structure with an R(2) (2)(12) graph-set motif.

| S-EPMC3201510 | biostudies-literature

2-[4-(Trifluoro-meth-oxy)phen-yl]-1H-benzimidazole.

Project description:In the title compound, C(14)H(9)F(3)N(2)O, the best planes of the benzimidazole group and benzene ring form a dihedral angle of 26.68 (3)°. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into infinite chains parallel to the c axis. Stacking inter-actions between the benzimidazole groups [centroid-centroid distance = 3.594 (5) Å] assemble the mol-ecules into layers parallel to (100). The trifluoro-methyl group is disordered over three sets of sites with site-occupancy factors of 0.787 (4), 0.107 (7) and 0.106 (7).

| S-EPMC3569794 | biostudies-literature

4-(2,3-Dimeth-oxy-phen-yl)-1H-pyrrole-3-carbonitrile.

Project description:The asymmetric unit of the title compound, C(13)H(12)N(2)O(2), obtained in a search for analogs of the fungicide fludioxonil [systematic name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile], contains two independent mol-ecules, A and B. The benzene and pyrrole rings are inclined to each other at 38.5 (1) and 29.3 (1)° in mol-ecules A and B, respectively. In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds link A mol-ecules into chains along [001], while B mol-ecules are linked into layers parallel to the bc plane via bifurcated N-H⋯(N,N) hydrogen bonds.

| S-EPMC3344663 | biostudies-literature

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