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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.

ABSTRACT: 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)°.

SUBMITTER: Han LN

PROVIDER: S-EPMC2968503 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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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.

Han Lu-Na LN Lu Ran-Zhe RZ Zhang Min M Wang Hai-Bo HB

Acta crystallographica. Section E, Structure reports online 20090228 Pt 3

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)°. ...[more]

PMID: 21582274

Similar Datasets

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

Project description: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.

| S-EPMC2962053 | 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

3-[(N-Methyl-anilino)meth-yl]-5-(thio-phen-2-yl)-1,3,4-oxadiazole-2(3H)-thione.

Project description:In the title compound, C(14)H(13)N(3)OS(2), the thio-phene ring is disordered over two orientations by ca 180° about the C-C bond axis linking the ring to the rest of the mol-ecule, with a site-occupancy ratio of 0.651?(5):0.349?(5). The central 1,3,4-oxadiazole-2(3H)-thione ring forms dihedral angles of 9.2?(5), 4.6?(11) and 47.70?(7)° with the major and minor parts of the disordered thio-phene ring and the terminal phenyl ring, respectively. In the crystal, no significant inter-molecular hydrogen bonds are observed. The crystal packing is stabilized by ?-? inter-actions [centroid-centroid distance = 3.589?(2)?Å].

| S-EPMC3344480 | biostudies-literature

5-(4-Methyl-phen-yl)-1,3,4-oxadiazol-2-amine.

Project description:In the crystal structure of the title compound, C(9)H(9)N(3)O, adjacent mol-ecules are linked through N-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3379265 | 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.

| S-EPMC3011497 | biostudies-literature

1-[2-(3,4-Dichloro-phen-yl)-5-(3,4,5-trimethoxy-phen-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone.

Project description:The title compound, C(19)H(18)Cl(2)N(2)O(5), was synthesized by the reaction of N'-(3,4-dichloro-benzyl-idene)-3,4,5-trimethoxy-benzo-hydrazide and acetic anhydride. The oxadiazole ring makes dihedral angles of 82.82?(7) and 9.92?(7)° with the 3,4-dichloro-benzene and the 3,4,5-trimethoxy-benzene ring planes, respectively. The crystal structure is stabilized by inter-molecular C-H? O and C-H? N hydrogen bonds. Intra-molecular C-H?O and C-H?N hydrogen bonds are also present.

| S-EPMC2962074 | 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

(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

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