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5-(3-Meth-oxy-phen-yl)-3-phenyl-1,2-oxazole.

ABSTRACT: In the title compound, C16H13NO2, the isoxazole ring makes dihedral angles of 17.1?(1)° with the 3-meth-oxy-phenyl ring and 15.2?(1)° with the phenyl group. Centrosymmetric dimers that are realised by pairs of C-H?? inter-actions are observed in the crystal structure.

SUBMITTER: Balakrishnan B

PROVIDER: S-EPMC3629638 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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5-(3-Meth-oxy-phen-yl)-3-phenyl-1,2-oxazole.

Balakrishnan B B Praveen C C Seshadri P R PR Perumal P T PT

Acta crystallographica. Section E, Structure reports online 20130328 Pt 4

In the title compound, C16H13NO2, the isoxazole ring makes dihedral angles of 17.1 (1)° with the 3-meth-oxy-phenyl ring and 15.2 (1)° with the phenyl group. Centrosymmetric dimers that are realised by pairs of C-H⋯π inter-actions are observed in the crystal structure. ...[more]

PMID: 23634125

Similar Datasets

5-(3-Methyl-phen-yl)-3-phenyl-1,2-oxazole.

Project description:In the title compound, C(16)H(13)NO, the isoxazole ring makes dihedral angles of 16.64?(7)° with 3-methyl-phenzyl ring and 17.60?(7)° with the unsubstituted phenyl ring.

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Crystal structure and Hirshfeld surface analysis of 4-(4-chloro-phen-yl)-5-methyl-3-{4-[(2-methyl-phen-yl)meth-oxy]phen-yl}-1,2-oxazole.

Project description:In the title compound, C24H20ClNO2, the mean planes of 4-chloro-phenyl, 2-methyl-phenyl and phenyl-ene rings make dihedral angles of 62.8 (2), 65.1 (3) and 15.1 (2)°, respectively, with the 5-methyl-1,2-oxazole ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N, C-H⋯Cl, C-H⋯π contacts and π-π stacking inter-actions between the phenyl-ene groups. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (48.7%), H⋯C/C⋯H (22.2%), Cl⋯H/H⋯Cl (8.8%), H⋯O/O⋯H (8.2%) and H⋯N/N⋯H (5.1%) inter-actions.

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N-(2-Formyl-phen-yl)-4-meth-oxy-N-(4-meth-oxy-phenyl-sulfon-yl)benzene-sulfonamide.

Project description:In the title compound, C(21)H(19)NO(7)S(2), the dihedral angles between the formyl-phenyl ring and the two meth-oxy-phenyl rings are 33.87 (9) and 41.00 (10)°. The S atoms have a distorted tetra-hedral geometry and the N atom shows a trigonally planar [r.m.s. deviation = 0.0437 (13) Å] coordination. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds.

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Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the meth-oxy group is coplanar with the benzene ring to which it is connected [the C-C-O-C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C-H⋯O(carbon-yl) inter-actions that lead to a supra-molecular chain with a zigzag topology along the c axis. Chains pack with no specific inter-molecular inter-actions between them.

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(E)-Methyl 2-[(2-formyl-6-meth-oxy-phen-oxy)meth-yl]-3-phenyl-acrylate.

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6-Chloro-2-(4-meth-oxy-phen-yl)-4-phenyl-quinoline.

Project description:In the title compound, C22H16ClNO, the quinoline ring system makes dihedral angles of 56.30?(6) and 7.93?(6)°, respectively, with the adjacent phenyl and benzene rings. The dihedral angle between these phenyl and benzene rings is 56.97?(8)°. In the crystal, weak C-H?? and ?-? [centroid-centroid distances of 3.7699?(9) and 3.8390?(9)?Å] inter-actions link the mol-ecules into a layer parallel to the ab plane.

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(<i>Z</i>)-3-({[3-Meth-oxy-5-(tri-fluoro-meth-yl)phen-yl]imino}meth-yl)benzene-1,2-diol.

Project description:The title compound, C15H12F3NO3, crystallizes with one mol-ecule in the asymmetric unit. The mean planes of the two phenyl rings of the Schiff base moiety, bearing the OH groups and the imine group, respectively, are inclined to each other by 4.91?(1)°. In the crystal, mol-ecules are linked via pairs of bifurcated O-H?O hydrogen bonds between the phenol OH groups, forming inversion dimers with an R 1 2(5) ring motif. The structure exhibits also intra-molecular O-H?N and C-H?F hydrogen-bonding inter-actions. Hirshfeld surfaces analysis and two-dimensional fingerprint plots were applied to qu-antify the inter-molecular inter-actions. The three F atoms of the tri-fluoro-methyl group are disordered over two sets of sites, with occupancy factors of 0.578?(8) and 0.422?(8). The crystal studied was refined as an inversion twin.

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1-(3-Meth-oxy-phen-yl)-2-(phenyl-sulfon-yl)ethan-1-one.

Project description:In the title compound, C(15)H(14)O(4)S, the dihedral angle between the benzene and phenyl rings is 88.74?(10)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.6092?(13)-3.8651?(13)?Å].

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1,2-Bis(4-meth-oxy-phen-oxy)ethane.

Project description:The whole mol-ecule of the title compound, C16H18O4, is generated by twofold rotational symmetry; the twofold axis bis-ects the central C-C bond. The O-C-C-O torsion angle about the central C-C bond is 69.45?(16)°. Symmetry-related benzene rings are inclined to one another by 64.91?(8)°. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds, forming a three-dimensional network.

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1,2-Bis{2-[(4-meth-oxy-benzyl-idene)amino]-phen-yl}disulfane.

Project description:The asymmetric unit of the title compound, C28H24N2O2S2, contains one-half mol-ecule, which is completed by twofold rotation symmetry with the twofold axis passing through the mid-point of the central S-S bond. The planes of the two benzene rings linked by the di-sulfide chain form a dihedral angle of 76.1?(1)°, while the planes of the two benzene rings in the benzyl-ideneaniline fragment form a dihedral angle of 48.9?(1)°. The crystal packing exhibits no significantly short inter-molecular contacts.

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