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Crystal structure of 4,4'-(disulfanediyl)dibutanoic acid-4,4'-bipyridine (1/1).

ABSTRACT: 4,4'-(Disulfanediyl)dibutanoic acid (dtba) and 4,4'-bipyridine (4,4'-bpy) crystallize in an 1:1 ratio, leading to the title co-crystal with composition C8H14O4S2·C10H8N2. A distinctive feature of the crystal structure is the geometry of the dtba moiety, which appears to be stretched [with a 9.98?(1)?Å span between outermost carbons] and acts as an hydrogen-bonding connector, forming linear chains along [-211] with the 4,4'-bpy moiety by way of O-H?N hydrogen bonds and C-H?O interactions. The influence of the mol-ecular shape on the hydrogen-bonding pattern is analysed by comparing the title compound and two other 4,4'-bpy co-crystals with closely related mol-ecules of similar formulation but different geometry, showing the way in which this correlates with the packing arrangement.

SUBMITTER: Atria AM

PROVIDER: S-EPMC4186179 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 4,4'-(disulfanediyl)dibutanoic acid-4,4'-bipyridine (1/1).

Atria Ana María AM Garland Maria Teresa MT Baggio Ricardo R

Acta crystallographica. Section E, Structure reports online 20140830 Pt 9

4,4'-(Disulfanediyl)dibutanoic acid (dtba) and 4,4'-bipyridine (4,4'-bpy) crystallize in an 1:1 ratio, leading to the title co-crystal with composition C8H14O4S2·C10H8N2. A distinctive feature of the crystal structure is the geometry of the dtba moiety, which appears to be stretched [with a 9.98 (1) Å span between outermost carbons] and acts as an hydrogen-bonding connector, forming linear chains along [-211] with the 4,4'-bpy moiety by way of O-H⋯N hydrogen bonds and C-H⋯O interactions. The inf ...[more]

PMID: 25309167

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2-Amino-terephthalic acid-4,4'-bipyridine (1/1).

Project description:The asymmetric unit of the title compound, C(10)H(8)N(2)·C(8)H(7)NO(4), contains two half-mol-ecules, which constitute a 1:1 co-crystal. The 2-amino-terephthalic acid mol-ecule is situated on an inversion center being disordered between two orientations in a 1:1 ratio. In the 4,4'-bipyridine mol-ecule, which is situated on a twofold rotational axis, the two pyridine rings form a dihedral angle of 37.5?(1)°. In the crystal, mol-ecules are held together via inter-molecular N-H?O and O-H?N hydrogen bonds. The crystal packing exhibits ?-? inter-actions between the aromatic rings with a centroid-centroid distance of 3.722?(3)?Å.

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