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2,2'-(Disulfanedi-yl)dibenzoic acid-N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide (1/1).

ABSTRACT: The asymmetric unit of the title co-crystal, C(14)H(14)N(4)S(2)·C(14)H(10)O(4)S(2), comprises a twisted 2,2'-(disulfanedi-yl)dibenzoic acid mol-ecule [dihedral angle between the benzene rings = 83.53?(14)°] and a U-shaped mol-ecule of N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide in which intra-molecular N-H?S hydrogen bonds are observed. Two mol-ecules of each form a centrosymmetric ring, with an extended chair conformation, mediated by carbox-yl-pyridine O-H?N hydrogen bonds between the carboxylic acid groups of two 2,2'-(disulfanediyl)dibenzoic acid molecules and pyridine-N atoms of two N,N'-bis(4-pyridylmethyl)ethanedithioamide molecules. The tetra-meric aggregates are linked into a supra-molecular chain along the b axis via amide-carbonyl N-H?O hydrogen bonds.

SUBMITTER: Arman HD

PROVIDER: S-EPMC2983272 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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2,2'-(Disulfanedi-yl)dibenzoic acid-N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide (1/1).

Arman Hadi D HD Miller Tyler T Poplaukhin Pavel P Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

The asymmetric unit of the title co-crystal, C(14)H(14)N(4)S(2)·C(14)H(10)O(4)S(2), comprises a twisted 2,2'-(disulfanedi-yl)dibenzoic acid mol-ecule [dihedral angle between the benzene rings = 83.53 (14)°] and a U-shaped mol-ecule of N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide in which intra-molecular N-H⋯S hydrogen bonds are observed. Two mol-ecules of each form a centrosymmetric ring, with an extended chair conformation, mediated by carbox-yl-pyridine O-H⋯N hydrogen bonds between the carb ...[more]

PMID: 21587571

Similar Datasets

2,2'-(Disulfanediyl)dibenzoic acid-N,N'-bis-(3-pyridyl-meth-yl)ethane-diamide (1/1).

Project description:The asymmetric unit of the title cocrystal, C(14)H(14)N(4)O(2)·C(14)H(10)O(4)S(2), comprises a twisted 2,2'-(disulfanediyl)dibenzoic acid mol-ecule [dihedral angle between the benzene rings = 76.35?(10)°] and a U-shaped N,N'-bis-(3-pyridyl-meth-yl)ethane-diamide mol-ecule with the pyridyl groups lying to the same side of the central diamide moiety [C-C-C-N = 113.8?(2) and -117.6?(2)°]. The latter aggregate into supra-molecular tapes propagating along the a axis via centrosymmetric eight-membered amide {?OCNH}(2) synthons. Intra-molecular N-H?O hydrogen bonds are observed. The 2,2'-(disulfanediyl)dibenzoic acid mol-ecules form carbox-yl-pyridine O-H?N hydrogen bonds, bridging a pyridine residue below the plane of the tape and one above the plane with two inter-vening N,N'-bis-(3-pyridyl-meth-yl)ethane-diamide mol-ecules. The supra-molecular chains are consolidated in the crystal packing by C-H?O contacts. An inter-molecular C-H?S inter-action also occurs.

| S-EPMC2983345 | biostudies-literature

N,N'-Bis[(1H-imidazol-1-yl)meth-yl]-2,2'-(disulfanedi-yl)dianiline.

Project description:The symmetrical title compound, C(20)H(20)N(6)S(2), contains a disulfide bond of 2.0884 (6) Å. The C-S-S-C torsion angle is -59.57 (7)°. In the crystal, classical N-H⋯N and non-classical C-H⋯N hydrogen bonds link the compounds into chains along the a axis.

| S-EPMC3393319 | biostudies-literature

2,2'-(Disulfanedi-yl)dibenzoic acid-2,9-dimethyl-phenanthroline-tetra-hydro-furan (1/2/1).

Project description:The asymmetric unit of the title co-crystal solvate, C(14)H(10)O(4)S(2)·2C(14)H(12)N(2)·C(4)H(8)O, comprises a 2,2'-(disulfanedi-yl)dibenzoic acid mol-ecule, two mol-ecules of 2,9-dimethyl-phenanthroline and a tetra-hydro-furan (THF) solvent mol-ecule. Each end of the twisted diacid [dihedral angle between the benzene rings = 74.33 (17)°] forms a strong O-H⋯N hydrogen bond with a 2,9-dimethyl-phenanthroline mol-ecule, forming a trimeric aggregate. The crystal structure comprises layers of acid and THF mol-ecules, and layers of 2,9-dimethyl-phenanthroline mol-ecules that alternate along the a axis, the main connections between them being of the type C-H⋯O.

| S-EPMC2983249 | biostudies-literature

2,2'-Dinitro-5,5'-dithio-dibenzoic acid.

Project description:In the title compound, C(14)H(8)N(2)O(8)S(2), the asymmetric unit contains two independent 2,2'-dinitro-5,5'-dithio-dibenzoic acid (Dina) mol-ecules with roughly the same conformation. In the crystal structure, strong inter-molecular O-H⋯O hydrogen bonds link the organic mol-ecules into a one-dimensional zigzag chain along the a axis. The dihedral angles between the two aromatic rings [109.3 (2) and 103.1 (3)°] are larger than that (88.95°) observed in a structure of the compound with a solvent water mol-ecule [Shefter & Kalman (1969), J. Chem. Soc. D, p. 1027]. Such a difference may be explained by the occurrence of O-H⋯O hydrogen bonds involving the water mol-ecule in the previously reported structure.

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2,2'-(Disulfanedi-yl)bis-[4,6-(4-fluoro-phen-yl)pyrimidine].

Project description:The title compound, C(32)H(18)F(4)N(4)S(2), is a disulfide symmetric-ally substituted with two diaza-meta-terphenyl groups. In the crystal, the mol-ecule adopts a twisted conformation with a C-S-S-C torsion angle of -91.82?(7)°. One of the 4,6-(4-fluoro-phen-yl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00?(8) and 5.44?(8)°, wheares the other is non-planar with analogues dihedral angles of 18.69?(8) and 26.60?(8)°. The planar 4,6-(4-fluoro-phen-yl)pyrimidine groups are involved in ?-? stacking inter-actions via their 4-fluoro-phenyl groups [centroid-centroid distances of 3.8556?(11) and 3.9284?(11)?Å] that assemble the mol-ecules into columns extended along the a axis. In addition, the structure is stabilized by C-F?? [F?centroid = 3.4017?(16)?Å], C-H?F and C-H?? inter-actions.

| S-EPMC3275226 | biostudies-literature

The co-crystal N,N'-bis-[(pyridin-1-ium-2-yl)meth-yl]ethane-dithio-amide bis-(2,6-di-nitro-benzoate)-2,6-di-nitro-benzoic acid (1/4).

Project description:The asymmetric unit of title co-crystal, C14H16N4S2 (2+)·2C7H3N2O6 (-)·4C7H4N2O6, comprises a centrosymmetric dipyridinium dication, a 2,6-di-nitro-benzoate anion and two independent 2,6-di-nitro-benzoic acid mol-ecules. The pyridin-ium rings are each approximately perpendicular to the central di-thio-amide unit [dihedral angle = 80.67?(12)°]. The carboxyl-ate/carb-oxy-lic acid groups are approximately perpendicular to the benzene ring to which they are attached [dihedral angles = 78.85?(16), 81.46?(19) and 71.28?(15)°]. By contrast, the major twist exhibited by a nitro group is manifested in a dihedral angle of 32.66?(17)°. The most prominent feature of the crystal packing is linear supra-molecular chains along [1-10], featuring O-H?O(carboxyl-ate) and pyridinium-N-H?O hydrogen bonds. These are consolidated into a three-dimensional architecture by thio-amide-nitro N-H?O, C-H?O and ?-? [inter-centroid distance = 3.524?(2)?Å] inter-actions. One of the nitro O atoms was refined over two sites; the major site was 0.65?(7) occupied.

| S-EPMC3790379 | biostudies-literature

1,2-Bis{bis-[4-(trifluoro-meth-yl)phen-yl]phosphino}ethane.

Project description:Crystals of the title compound, C(30)H(20)F(12)P(2) or R(2)PCH(2)CH(2)PR(2) (R = 4-C(6)H(4)CF(3)), were inadvertently prepared while attempting to recrystallize a crude sample of trans-Re(Cl)(N(2))(R(2)PCH(2)CH(2)PR(2))(2) from diethyl ether. The molecule lies on a center of inversion. One of the rings lies approximately in the P-C-C-P plane; the dihedral angle is 174.53°.The other ring is not quite perpendicular; the dihedral angle is 71.1°. The compound is isostructural with the R = Ph, 4-C(6)H(4)CH(3) and 4-C(6)H(4)CH(2)CH(3) analogues. It is well known that the basicity of phosphines and diphosphines can be altered by changing the electron-donating ability of R; however, the structural parameters for the title compound do not significantly differ from those of the aforementioned substituted-phenyl compounds.

| S-EPMC2960220 | biostudies-literature

2,2'-(Disulfanedi-yl)dianilinium dichloride dihydrate.

Project description:In the title hydrated mol-ecular salt, C12H14N2S2 (2+)·2Cl(-)·2H2O, the dihedral angle between the benzene rings in the dication is 9.03?(17)° and the C-S-S-C torsion angle is 96.8?(2)°. The crystal packing can be described as alternating organic and anionic water layers lying parallel to (100), which are linked by N-H?Cl and N-H?O hydrogen bonds. O-H?Cl hydrogen bonds and aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.730?(3)?Å] are also observed.

| S-EPMC3770359 | biostudies-literature

4,4'-Di-3-pyridyl-2,2'-dithio-dipyrimidine.

Project description:The asymmetric unit of the title compound, C(18)H(12)N(6)S(2), contains one half-mol-ecule situated on a twofold rotational axis that passes through the mid-point of the S-S bond. In the mol-ecule, the C-S-S-C torsion angle is 81.33?(7)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC2969656 | biostudies-literature

1,1,1-Trichloro-2,2-bis-(4-iodo-phen-yl)ethane.

Project description:In the structure of the title compound, C(14)H(9)Cl(3)I(2), which is the 4-iodo-phenyl analogue of the insecticide DDT [1,1,1-tri-chloro-2,2-bis-(4-chloro-phen-yl)ethane], isomorphism between the two compounds has been confirmed. In the mol-ecule, the dihedral angle between the planes of the two benzene rings is 65.8 (4)° which compares with 64.7 (7)° in DDT.

| S-EPMC3414957 | biostudies-literature

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