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2-[3,4-Dibut-oxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thien-yl]-5-phenyl-1,3,4-oxadiazole.

ABSTRACT: In the title compound, C(28)H(28)N(4)O(4)S, the dihedral angles between the central thio-phene ring and its pendant oxadiazole rings are 1.2?(3) and 9.8?(3)°. The dihedral angles between the oxadiazole and phenyl rings are 2.9?(3) and 1.8?(3)°. Some short intra-molecular C-H?O contacts occur.

SUBMITTER: Li HL

PROVIDER: S-EPMC2962053 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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2-[3,4-Dibut-oxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thien-yl]-5-phenyl-1,3,4-oxadiazole.

Li Hai-Lin HL Zeng Hai-Su HS Kang Si-Shun SS Wang Hai-Bo HB

Acta crystallographica. Section E, Structure reports online 20080705 Pt 8

In the title compound, C(28)H(28)N(4)O(4)S, the dihedral angles between the central thio-phene ring and its pendant oxadiazole rings are 1.2 (3) and 9.8 (3)°. The dihedral angles between the oxadiazole and phenyl rings are 2.9 (3) and 1.8 (3)°. Some short intra-molecular C-H⋯O contacts occur. ...[more]

PMID: 21203138

Similar Datasets

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

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.

| S-EPMC2959615 | biostudies-literature

5-[1-(3,4-Dichloro-phen-oxy)eth-yl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate.

Project description:In the title compound, C(10)H(8)Cl(2)N(2)O(2)S·0.5H(2)O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds involving the water mol-ecule, which is situated on an a twofold rotation axis, and two organic mol-ecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp(3) hybridization. The dihedral angle between the mean plane of the benzene ring of the dichloro-phenyl group and the mean plane of the oxadiazole ring is 74.18?(4)°. The crystal structure is stabilized by intermolecular N-H?O and O-H?S hydrogen bonds.

| S-EPMC2970152 | biostudies-literature

2-Phenyl-5-(p-tol-yl)-1,3,4-oxadiazole.

Project description:The title compound, C(15)H(12)N(2)O, adopts the expected near-planar geometry, the phenyl and tolyl rings being inclined relative to the oxadiazole ring by 3.8 (3) and 8.3 (2)°, respectively. This allows adjacent mol-ecules to pack in a parallel fashion and form stacking along [010] via π-π inter-actions [centroid-centroid distances = 3.629 (2) and 3.723 (2) Å]. Further inter-molecular inter-actions include C-H⋯π inter-actions and weak C-H⋯N hydrogen bonds, giving rise to a crossed herringbone packing motif.

| S-EPMC3152068 | biostudies-literature

Ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-ylsulfan-yl)acetate.

Project description:The title mol-ecule, C(12)H(12)N(2)O(3)S, is composed of two individually planar units, viz. 5-phenyl-1,3,4-oxadiazol-2-yl-sulfanyl and ethyl acetate, which are oriented at almost right angles [80.07 (8)°] with respect to each other. The structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds. The phenyl and oxadiazole rings show π-π stacking inter-actions [centroid-centroid distance = 3.846 (2) Å] and there is also a short π-inter-action between the carbonyl O atom and the oxadiazole ring [the distance from this O atom to the centroid of the oxadiazole ring is 3.156 (2) Å].

| S-EPMC2961061 | 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⋯π inter-actions.

| S-EPMC3011497 | biostudies-literature

N-Phenyl-N-{4-[5-(4-pyrid-yl)-1,3,4-oxadiazol-2-yl]phen-yl}aniline.

Project description:The title compound, C(25)H(18)N(4)O, is a non-planar bipolar ligand containing triphenyl-amine and 1,3,4-oxadiazole units. In the mol-ecule, the benzene ring, the 1,3,4-oxadiazole ring, and the pyridine ring are twisted slightly with respect to each other [dihedral angle between the benzene and 1,3,4-oxadiazole rings = 9.4 (4) and between the 1,3,4-oxadiazole and pyridine rings = 3.0 (4)°]. Moreover, the dihedral angles between the two phenyl rings and the benzene ring are 88.2 (4) and 113.3 (4)°, and that between the two phenyl rings is 67.9 (4)°. The closest distances between the pyridine ring and the 1,3,4-oxadiazole and benzene rings in adjacent mol-ecules are 3.316 and 3.363 Å, respectively, indicating the existence of π-π inter-actions.

| S-EPMC2915300 | biostudies-literature

5-Phenyl-1,3,4-oxadiazol-2-amine.

Project description:In the title complex, C(8)H(7)N(3)O, the C-O [1.369?(2) and 1.364?(3)?Å] and C=N [1.285?(3) and 1.289?(3)?Å] bond lengths in the oxadiazole ring are each almost identical within systematic errors, although different substituents are attached to the ring. The phenyl ring is inclined to the planar oxadiazole ring [r.m.s. deviation 0.002?Å] by 13.42?(18)°. In the crystal, molecules are linked via N-H?N hydrogen bonds, forming double-stranded chains propagating along [010].

| S-EPMC3470405 | biostudies-literature

5-(3,4,5-Trimeth-oxy-phen-yl)-1,3,4-oxadiazole-2(3H)-thione.

Project description:The two rings in the title compound, C(11)H(12)N(2)O(4)S, are roughly coplanar [dihedral angle = 6.77 (8)°]. Whereas the two outer methyl groups of the three meth-oxy groups are almost coplanar with the aromatic ring to which they are attached [C-C-O-C torsion angles = 8.5 (3) and -8.3 (3)°], the methyl group of the central meth-oxy substituent is not [C-C-C-C = -78.4 (3)°]. The crystal packing is stabilized by N-H⋯O hydrogen bonding.

| S-EPMC3007562 | biostudies-literature

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