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2-(4-tert-Butyl-phen-yl)-5-p-tolyl-1,3,4-oxadiazole.

ABSTRACT: In the title compound, C(19)H(20)N(2)O, the dihedral angles between the 1,3,4-oxadiazole ring and the pendant 4-tert-butyl-phenyl and 4-methyl-phenyl rings are 12.53?(17) and 2.14?(17)°, respectively. In the crystal, mol-ecules are linked by C-H?N hydrogen bonds, forming chains.

SUBMITTER: Jin B

PROVIDER: S-EPMC2980193 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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2-(4-tert-Butyl-phen-yl)-5-p-tolyl-1,3,4-oxadiazole.

Jin Biao B

Acta crystallographica. Section E, Structure reports online 20091204 Pt 1

In the title compound, C(19)H(20)N(2)O, the dihedral angles between the 1,3,4-oxadiazole ring and the pendant 4-tert-butyl-phenyl and 4-methyl-phenyl rings are 12.53 (17) and 2.14 (17)°, respectively. In the crystal, mol-ecules are linked by C-H⋯N hydrogen bonds, forming chains. ...[more]

PMID: 21580186

Similar Datasets

2-(4-tert-Butyl-phen-yl)-5-{3,4-dibutoxy-5-[5-(4-tert-butyl-phen-yl)-1,3,4-oxadiazol-2-yl]-2-thienyl}-1,3,4-oxadiazole.

Project description:In the title compound, C(36)H(44)N(4)O(4)S, the dihedral angles between the central thio-phene ring and the pendent oxadiazole rings are 12.7?(2) and 13.7?(2)°, and the dihedral angles between the oxadiazole rings and their adjacent benzene rings are 6.1?(2) and 17.5?(2)°. An intra-molecular C-H?O inter-action may help to establish the conformation.

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{4-[5-(4-tert-Butyl-phen-yl)-1,3,4-oxa-diazol-2-yl]phen-yl}methanol.

Project description:In the title compound, C(19)H(20)N(2)O(2), the 1,3,4-oxadiazole ring is almost coplanar with the two neighboring benzene rings [dihedral angles = 3.76 (4) and 5.49 (4)°]. In the crystal, mol-ecules are connected by strong inter-molecular O-H⋯N hydrogen bonds, forming chains parallel to the c axis.

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1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

| S-EPMC2971974 | biostudies-literature

2,5-Bis(4-meth-oxy-phen-yl)-1,3,4-oxadiazole.

Project description:In the title compound, C(16)H(14)N(2)O(3), the essentially planar 1,3,4-oxadiazole ring [maximum deviation = 0.0021?(11)?Å] is inclined at dihedral angles of 8.06?(6) and 11.21?(6)° with respect to the two benzene rings; the dihedral angle between the latter rings is 11.66?(5)°. In the crystal, short inter-molecular C?O inter-actions [2.9968?(15)?Å] connect adjacent mol-ecules into chains propagating in [203]. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

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5,5'-Di-4-pyridyl-2,2'-(5-tert-butyl-m-phenyl-ene)bis-(1,3,4-oxadiazole).

Project description:The title compound, C(24)H(20)N(6)O(2), is a novel 1,3,4-oxadiazole derivative which has potential as an electron-transporting material in organic electroluminescent (EL) devices. In the crystal, the mol-ecular framework is almost planar with an r.m.s. deviation of 0.091?(4)?Å and it exists in an E form. Intra-molecular C-H?O and C-H?N hydrogen bonds are observed between the benzene and 1,3,4-oxadiazole rings. The tert-butyl group is disordered over two sites, with occupancy factors of 0.78?(1) and 0.22?(1) for the major and minor orientations, respectively. In the crystal structure, mol-ecules aggregate via C-H?N inter-actions, forming mol-ecular tapes along the b axis, which aggregate to form a mol-ecular sheet via C-H?N inter-actions.

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2,5-Bis[2-(2-methoxy-ethoxy)phen-yl]-1,3,4-oxadiazole.

Project description:In the title compound, C(20)H(22)N(2)O(5), the central 1,3,4-oxadiazole ring is essentially planar [r.m.s. deviation from the best plane of 0.0011?Å] and makes dihedral angles of 4.10?(3) and 13.32?(4)° with the two benzene rings. In the crystal structure, the packing is stabilized by weak non-classical inter-molecular C-H?N hydrogen bonds, which link the mol-ecules into an extended network.

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2-{3,4-Dibut-oxy-5-[5-(3-methyl-phen-yl)-1,3,4-oxadiazol-2-yl]thio-phen-2-yl}-5-(3-methyl-phen-yl)-1,3,4-oxadiazole.

Project description:In the title compound, C(30)H(32)N(4)O(4)S, the dihedral angles between the central thio-phene ring and the pendant oxadiazole rings are 10.1?(2) and 6.8?(3)°. The dihedral angles between each oxadiazole ring and its adjacent benzene ring are 6.8?(2) and 5.3?(3)°.

| S-EPMC2968503 | biostudies-literature

2-(4-Chloro-phen-yl)-5-{3,4-dibut-oxy-5-[5-(4-chloro-phen-yl)-1,3,4-oxadiazol-2-yl]thio-phen-2-yl}-1,3,4-oxadiazole.

Project description:In the title compound, C(28)H(26)Cl(2)N(4)O(4)S, the dihedral angles between the two chloro-phenyl rings and the two oxadiazol rings are 10.51 (4)° and 13.55 (3)°, respectively. The thio-phene ring is oriented at dihedral angles of 5.59 (4)°, 8.33 (4)° and 4.41 (4)°, 11.05 (3)°, respectively, with respect to the two oxadiazol and the two chloro-phenyl rings. The intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring. In the crystal structure, π-π contacts between the oxadiazol rings, the chloro-phenyl rings and the chloro-phenyl and oxadiazol rings [centroid-centroid distances = 3.428 (3) Å, 3.750 (3) Å and 3.768 (3) Å, respectively] are present.

| S-EPMC2959962 | biostudies-literature

Tris(4-tert-butyl-phen-yl)phosphine oxide.

Project description:In the title compound, C(30)H(39)OP, the P=O bond length is 1.4866?(12)?Å and the P-C bond lengths range from 1.804?(2) to 1.808?(13)?Å. The molecle is located on a crystallographic mirror plane. The methyl groups of one tert-butyl group are disordered over two sites in a 0.776?(4):0.224?(4) ratio.

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tert-Butyl N-(thio-phen-2-yl)carbamate.

Project description:In the title compound, C9H13NO2S, the dihedral angle between the thiophene ring and the carbamate group is 15.79?(14)°. In the crystal structure, intra-molecular C-H?O inter-actions in tandem with the tert-butyl groups render the packing of adjacent mol-ecules in the [001] direction nearly perpendicular [the angle between adjacent thio-phene rings is 74.83?(7)°]. An inter-molecular N-H?O hydrogen bond gives rise to a chain extending along [001]. The crystal studied was found to be a racemic twin.

| S-EPMC3884429 | biostudies-literature

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