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2-(2-Meth-oxy-5-methyl-phen-yl)-2H-benzotriazole.

ABSTRACT: In the title mol-ecule, C(14)H(13)N(3)O, the dihedral angle between the mean planes of the benzotriazole ring system and the benzene ring is 57.8 (2)°.

SUBMITTER: Chen MJ

PROVIDER: S-EPMC3007938 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Methyl N-{4-[(4-meth-oxy-phen-oxy)meth-yl]-2-oxo-2H-chromen-7-yl}carbamate.

Project description:In the title compound, C(19)H(17)NO(6), the dihedral angle between the 2H-chromene ring system and benzene ring is 5.34?(6)°. A short intra-molecular C-H?O contact occurs. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, generating C(8) chains propagating in [010]. The chains are linked by C-H?O inter-actions and the packing also exhibits ?-? stacking inter-actions between benzene and pyran rings, with a centroid-centroid distance of 3.676?(9)?Å.

| S-EPMC3379323 | biostudies-literature

2-Meth-oxy-imino-2-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}ethanol.

Project description:In the title compound, C(17)H(19)NO(3), the dihedral angle between the benzene rings is 68.0 (1)°. The C-O-C-C torsion angle of the atoms joining these rings is 179.7 (2)°. The atoms of the methanol group were refined as disordered over two sets of sites with fixed occupancies of 0.86 and 0.14. The H atoms of the hy-droxy group in the major component are disordered over a further two sets of sites with equal occupancies. This is a necessary arrangement to allow for hydrogen bonding without unrealistic H⋯H contacts. In the crystal, O-H⋯N and O-H⋯O hydrogen bonds connect mol-ecules into chains along [001].

| S-EPMC3435717 | biostudies-literature

2-[(E)-Meth-oxy-imino]-2-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}ethanoic acid.

Project description:In the title compound, C(17)H(17)NO(4), the dihedral angle between the two aromatic rings is 59.64?(5)°. The (meth-oxy-imino)-ethanoic acid fragment is nearly perpendicular to the attached benzene ring [dihedral angle = 81.07?(4)°]. In the crystal, pairs of O-H?O hydrogen bonds between carb-oxy groups link mol-ecules into inversion dimers. In addition, ?-? stacking inter-actions between inversion-related benzene rings are observed [centroid-centroid distance = 3.702?(1)?Å].

| S-EPMC3414343 | biostudies-literature

Bis[5-meth-oxy-2-(meth-oxy-carbon-yl)phen-yl] methyl-phospho-nate.

Project description:In the title phospho-nate, C19H21O9P, the dihedral angle between the benzene rings is 63.33 (3)°, and the P atom has a distorted tetra-hedral geometry, with angles in the range 101.30 (6)-120.38 (6)°. No significant inter-molecular inter-actions are observed in the crystal structure, and π-π inter-actions between symmetry-related benzene rings are beyond 4 Å.

| S-EPMC3998399 | biostudies-literature

Crystal structure analysis of [5-(4-meth-oxy-phen-yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio-phen-2-yl)methanone.

Project description:The title compound, C15H13N3O2S, crystallizes in the monoclinic space group P21/n and its mol-ecular conformation is stabilized via intra-molecular C-H?O and C-H?N contacts. The supra-molecular structure is mainly governed by C-H?N hydrogen-bonded centrosymmetric dimers, C-H?O and C-H?S hydrogen bonds and S?? and ?-? stacking inter-actions which, together, lead to the formation of a layered crystal packing. The inter-molecular inter-actions were further evaluated through the mol-ecular electrostatic potential map and Hirshfeld fingerprint analysis.

| S-EPMC6073004 | biostudies-literature

Comparison of crystal structures of 4-(benzo[b]thio-phen-2-yl)-5-(3,4,5-tri-meth-oxy-phen-yl)-2H-1,2,3-triazole and 4-(benzo[b]thio-phen-2-yl)-2-methyl-5-(3,4,5-tri-meth-oxy-phen-yl)-2H-1,2,3-triazole.

Project description:The title compound, C19H17N3O3S (I), was prepared by a [3 + 2]cyclo-addition azide condensation reaction using sodium azide and l-proline as a Lewis base catalyst. N-Methyl-ation of compound (I) using CH3I gave compound (II), C20H19N3O3S. The benzo-thio-phene ring systems in (I) and (II) are almost planar, with r.m.s deviations from the mean plane = 0.0205?(14) in (I) and 0.016?(2)?Å in (II). In (I) and (II), the triazole rings make dihedral angles of 32.68?(5) and 10.43?(8)°, respectively, with the mean planes of the benzo-thio-phene ring systems. The trimeth-oxy phenyl rings make dihedral angles with the benzo-thio-phene rings of 38.48?(4) in (I) and 60.43?(5)° in (II). In the crystal of (I), the mol-ecules are linked into chains by N-H?O hydrogen bonds with R (2) 1(5) ring motifs. After the N-methyl-ation of structure (I), no hydrogen-bonding inter-actions were observed for structure (II). The crystal structure of (II) has a minor component of disorder that corresponds to a 180° flip of the benzo-thio-phene ring system [occupancy ratio 0.9363?(14):0.0637?(14)].

| S-EPMC4257340 | biostudies-literature

5-((Meth-oxy-imino)-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}meth-yl)-N-phenyl-1,3,4-oxa-diazol-2-amine.

Project description:In the title mol-ecule, C24H22N4O3, the plane of the oxa-diazole ring forms a dihedral angle of 32.41 (12)° with that of the phenyl ring and dihedral angles of 74.51 (10) and 56.38 (10)° with the planes of the benzene rings. In the crystal, pairs of N-H⋯N hydrogen bonds link molecules into inversion dimers featuring R 2 (2)(8) graph-set motifs.

| S-EPMC3998470 | biostudies-literature

1-(4-Meth-oxy-phen-yl)-4-(4-methyl-phen-yl)-3-phen-oxy-azetidin-2-one.

Project description:The central β-lactam ring of the title compound, C(23)H(21)NO(3), is almost planar (r.m.s. deviation = 0.032Å). The meth-oxy-benzene ring is almost coplanar with the β-lactam ring [dihedral angle = 1.87 (11)°], whereas the tolyl ring is almost normal to it [75.73 (12)°]. The dihedral angle between the β-lactam ring and the O-bonded phenyl ring is 51.95 (12)°. An intra-molecular C-H⋯O inter-action generates an S(6) ring. The crystal structure features inter-molecular C-H⋯O hydrogen bonds, forming layers parallel to (011), and weak C-H⋯π inter-actions. Two aromatic π-π stacking inter-actions [centroid-centroid distances = 3.6744 (12) and 3.6799 (11) Å] are also observed.

| S-EPMC3051730 | biostudies-literature

Methyl (E)-2-({2-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-(4-methyl-phen-yl)acrylate.

Project description:In the title compound, C(19)H(19)NO(4), the dihedral angle between the mean planes through the benzene rings is 82.18?(7)°. The C=N double bond is trans-configured. The mol-ecules are linked into centrosymmetric dimers via pairs of O-H?N hydrogen bonds with the motif R(2) (2)(6). The crystal packing also features C-H?O inter-actions. The methyl group attached to one of the aromatic rings is disordered over two almost equally occupied positions [occpancy ratio = 0.51?(4):0.49?(4)].

| S-EPMC3379223 | biostudies-literature

1-(Diphenyl-phosphinothio-yl)-2-[(4-methyl-phen-yl)meth-oxy-meth-yl]ferrocene.

Project description:Following our continuing inter-est in developing new chiral phosphine-containing ferrocenyl ligands, we synthesized the title compound, [Fe(C(5)H(5))(C(26)H(24)OPS)], in which there are two nearly identical mol-ecules in the asymmetric unit. The conformation of the cyclo-penta-dienyl (Cp) rings in each ferrocenyl group are inter-mediate between eclipsed and staggered, with twist angles of 16.6?(2) and 8.9?(2)°. The protecting S atom is located endo with respect to the substituted Cp ring. In the crystal, mol-ecules are connected through inter-molecular C-H?? inter-actions.

| S-EPMC3009340 | biostudies-literature

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