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5,5'-Diphenyl-2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-oxadiazole).

ABSTRACT: The complete mol-ecule of the title compound, C(20)H(18)N(4)O(2)S(2), is generated by crystallographic inversion symmetry. The benzene ring is almost coplanar with the oxadiazole ring [dihedral angle = 7.2?(2)°].

SUBMITTER: Wang W

PROVIDER: S-EPMC3009329 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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5,5'-Diphenyl-2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-oxadiazole).

Wang Wei W Qiu Hong H Gao Yan Y Yao Hong-Guo HG Ji Ming M

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

The complete mol-ecule of the title compound, C(20)H(18)N(4)O(2)S(2), is generated by crystallographic inversion symmetry. The benzene ring is almost coplanar with the oxadiazole ring [dihedral angle = 7.2 (2)°]. ...[more]

PMID: 21589103

Similar Datasets

Poly[[{?(4)-2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-thia-diazole)}silver(I)] perchlorate sesquihydrate].

Project description:In the polymeric title compound, {[Ag(C(8)H(10)N(4)S(4))]ClO(4)·1.5H(2)O}(n), the Ag(I) atom has a slightly distorted trigonal-planar coordination geometry provided by three N-atom donors from the thia-diazole rings of three symmetry-related 2,2'-[butane-1,4-diylbis(sulfanedi-yl)]bis-(1,3,4-thia-diazole) ligands. Centrosymmetrically related Ag(I) atoms are bridged by the N-N fragments of rings, forming six-membered dinuclear metallacycles, which are further linked by the alkyl spacers of the thia-diazole ligands into a layer network extending parallel to (0-21). The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds. The O atoms of the perchlorate anion and one water mol-ecule are disordered over two sets of sites with refined occupancy ratios of 0.640?(6):0.360?(6) and 0.663?(11):0.337?(11), respectively. The second water molecule shows half-occupancy.

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5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole).

Project description:The title mol-ecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-mol-ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These mol-ecules are π-stacked along the crystallographic a axis, with an inter-planar distance of 3.337 (1) Å. Adjacent mol-ecules are slipped from the 'ideal' cofacial π-stack in both the long and short mol-ecular axis (the long mol-ecular axis is defined as the line through the naphthalene C atom in the 6-position and the mol-ecular center, the short mol-ecular axis is in the mol-ecular plane perpendicular to it). The slip distance along the long mol-ecular axis (S(1)) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S(2), along the short mol-ecular axis) is 1.159 (8) Å.

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5,5'-Bis(diethyl-amino)-2,2'-[butane-1,4-diyldioxy-bis(nitrilo-methyl-idyne)]-diphenol.

Project description:The title complex, C(26)H(38)N(4)O(4), was synthesized by the reaction of 4-diethyl-amino-2-hydroxy-benzaldehyde with 1,4-bis-(amino-oxy)butane in ethanol. It crystallizes as discrete centrosymmetric molecules adopting an extended conformation where the two salicylaldoxime groups are separated from each other. Intra-molecular O-H⋯N hydrogen bonding is observed between the hydr-oxy groups and oxime N atoms. Inter-molecular π-π stacking inter-actions [3.979 (2) Å] between aromatic rings are apparent in the crystal structure. Each ethyl group is disordered over two positions; in one the site occupancy factors are 0.55 and 0.45, in the other 0.53 and 0.47.

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5,5',5''-Triphenyl-2,2',2''-[2,4,6-tri-methyl-benzene-1,3,5-triyltris(methyl-idene-sulfanedi-yl)]tris-(1,3,4-oxadiazole).

Project description:In the title compound, C(36)H(30)N(6)O(3)S(3), the phenyl rings are twisted from the attached oxadiazole rings in the three arms by 1.5(2), 2.4?(2) and 25.7?(2)°. The crystal packing exhibits weak inter-molecular C-H?N 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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Dimethyl 2,2'-[butane-1,4-diylbis(sul-fanediyl)]dibenzoate.

Project description:The title compound, C(20)H(22)O(4)S(2), was synthesized by the reaction of 1,4-dibromo-butene with methyl thio-salicylate. The aliphatic segment of this ligand is in an all-trans conformation. The bridging chain, -S-(CH(2))(4)-S-, is almost planar (r.m.s. deviation for all non-H atoms: 0.056?Å) and its mean plane forms dihedral angles of 16.60?(7) and 5.80?(2)° with the aromatic rings. In the crystal, the mol-ecules are linked by weak C-H?O inter-actions into chains with graph-set notation C(14) along [0 0 1]. The crystal studied was a racemic twin, the ratio of the twin components being 0.27?(9):0.73?(9).

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2,2'-[Ethane-1,2-diylbis(sulfanedi-yl)]bis-(pyridine N-oxide).

Project description:The tile compound, C(12)H(12)N(2)O(2)S(2), lies on an inversion center. The two pyridyl rings are parallel to each other. The structure is devoid of any classical hydrogen bonds due to lack of appropriate donors and acceptors for such bonds. However, non-classical hydrogen bonds of the types C-H?O and C-H?S stabilize the structure.

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5,5'-[Methyl-enebis(sulfanedi-yl)]bis-(1,3,4-thia-diazol-2-amine).

Project description:In the crystal structure of the title compound, C(5)H(6)N(6)S(4), the mol-ecules are linked by strong N-H?N hydrogen bonds into a two-dimensional network and an intra-molecular C-H?S inter-action also occurs.

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2,2'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(sulfanedi-yl)]diaceto-nitrile.

Project description:In the title compound, C6H4N4S3, the 1,3,4-thia-diazole ring is essentially planar, with an r.m.s. deviation of 0.001 Å. The two N-C-S-C torsion angles in the mol-ecule are -23.41 (15) and 0.62 (14)°. One aceto-nitrile group is above the plane of the 1,3,4-thia-diazole ring and the other is below it, indicating syn and anti orientations. In the crystal, C-H⋯N hydrogen bonds link the molecules into ribbons along [010].

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5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.

Project description:The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H?O and O-H?N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal.

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