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

ABSTRACT: 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.

SUBMITTER: Xiao W

PROVIDER: S-EPMC3120464 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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

Xiao Wenzhi W Xue Ruiting R Yin Yansheng Y

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

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 ...[more]

PMID: 21754729

Similar Datasets

4,4'-Bipyridine-terephthalic acid (1/1).

Project description:The asymmetric unit of the title compound, C(10)H(8)N(2)·C(8)H(6)O(4), consists of one half-mol-ecule of each moiety, 4,4'-bipyridine (bpy) and terephthalic acid (bdc), both being located on crystallographic inversion centers. They are linked together via strong inter-molecular O-H?N hydrogen bonds, forming infinite chains propagating along [1-21]. The chains are further connected through C-H?O inter-actions giving sheets in (012). The sheets are linked via ?-? inter-actions between the bpy rings and the bdc-bpy rings [centroid-centroid distances = 3.690?(2) and 3.869?(2)?Å], resulting in the formation of a three-dimensional supra-molecular layer-like structure.

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

Project description:In the title compound, 2C(8)H(6)O(4)·C(10)H(8)N(2), the 4,4'-bipyridine mol-ecule is located on an inversion centre. In the crystal structure, strong inter-molecular O-H⋯N hydrogen bonds between the terephthalic acid and 4,4'-bipyridine mol-ecules lead to the formation of chains with graph-set motif C(2) (2)(8) along the diagonal of the bc plane.

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3-Amino-benzoic acid-4,4'-bipyridine (2/3).

Project description:The asymmetric unit of the title compound, 3C(10)H(8)N(2)·2C(7)H(7)NO(2), consists of three mol-ecules of 4,4'-bipyridine (bpy) and two mol-ecules of 3-amino-benzoic acid (bza). Two mol-ecules of bza and two mol-ecules of bpy are connected via O-H?N, N-H?N and N-H?O hydrogen bonds, forming forming infinite double-stranded zigzag chains along the c axis. The third mol-ecule of bpy is linked to the chain by weak C-H?O inter-actions. Adjacent chains are linked via ?-? inter-actions [centroid-centroid distances = 3.759?(3)-3.928?(3)?Å] involving the pyridine rings of bpy mol-ecules, resulting in a sheet-like structure parallel to (100). These sheets are stacked via C-H?? inter-actions, resulting finally in the formation of a three-dimensional supra-molecular structure.

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Hemi(4,4'-bipyridinium) hexa-fluorido-phosphate bis-(4-amino-benzoic acid) 4,4'-bipyridine monohydrate.

Project description:In the title compound, 0.5C(10)H(10)N(2) (2+)·PF(6) (-)·C(10)H(8)N(2)·2C(7)H(7)NO(2)·H(2)O, the cation is located on a center of symmetry. The crystal structure is determined by a complex three-dimensional network of inter-molecular O-H?O, O-H?N, N-H?N and N-H?F hydrogen bonds. ?-? stacking inter-actions between neighboring pyridyl rings are also present; the centroid-centroid distance is 3.643?(5)?Å. The hexa-fluoridophosphate anion is disordered over two positions with site-occupancy factors of ca 0.6 and 0.4.

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4,4'-Bipyridine acetic acid disolvate.

Project description:The crystal structure of the title compound, C(10)H(8)N(2)·2C(2)H(4)O(2), is built up from 4,4'-bipyridine and acetic acid mol-ecules linked by strong O-H?N hydrogen bonds. The 4,4'-bipyridine and the two acetic acid mol-ecules are further connected through weak C-H?O hydrogen bonds to form a supra-molecular two-dimensional network parallel to the (001) plane. The two pyridine rings make a dihedral angle of 31.8?(1)°.

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4,4'-Bipyridine-pyroglutamic acid (1/2).

Project description:In the title co-crystal, C(10)H(8)N(2)·2C(5)H(7)NO(3), the 4,4'-bipyridine mol-ecule [dihedral angle between the pyridine rings = 36.33?(11)°] accepts O-H?N hydrogen bonds from the two pyroglutamic (pga) acid mol-ecules. The pga mol-ecules at each end of the trimeric aggregate self-associate via centrosymmetric eight-membered amide {?HNCO}(2) synthons, so that the crystal structure comprises one-dimensional supra-molecular chains propagating in [13]. C-H?O and ?-? stacking inter-actions [centroid-centroid separation = 3.590?(2)?Å] consolidate the structure.

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4,4'-Bipyridine-cyano-acetic acid (1/2).

Project description:Crystals of the title adduct, C(10)H(8)N(2)·2C(3)H(3)NO(2), were obtained from a methanol/water solution of cyano-acetic acid and 4,4'-bipyridine at room temperature. In the crystal structure, cyano-acetic acid and centrosymmetric 4,4'-bipyridine mol-ecules are linked by O-H⋯N hydrogen bonds to form three-component supra-molecular adducts. The acidic H atom is almost midway between the O and N atoms of the cyano-acetic acid and bipyridine mol-ecules, with O-H and N-H distances of 1.19 (3) and 1.39 (3) Å, respectively, so that the H-atom transfer is best regarded as partial. The three-component adducts are further inter-connected with neighboring mol-ecules by weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds and by π-π stacking inter-actions [centroid-centroid distance = 3.7200 (11) Å] to generate a three-dimensional supra-molecular structure.

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5-Amino-2,4,6-triiodo-isophthalic acid-4,4'-bipyridine N,N'-dioxide-water (1/1/1).

Project description:The aromatic rings of the N,N'-dioxide molecule in the title compound, C(8)H(4)NI(3)O(4)·C(10)H(8)N(2)O(2)·H(2)O, are twisted by 14.0?(2)°. The -CO(2)H substituents of the 5-amino-2,4,6-triiodo-isophthalic acid are twisted by 83.0?(2) and 86.5?(2)° out of the plane of the aromatic ring. In the crystal, the three components are linked by O-H?O hydrogen bonds into a three-dimensional network. An N-H?O inter-action also occurs. One of the amino H atom is not involved in hydrogen bonding.

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

Project description: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.

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4,4'-Bipyridine-5-fluoro-isophthalic acid (1/1).

Project description:Co-crystallization of 5-fluoro-isophthalic acid (H(2)fip) with 4,4'-bipyridine (bipy) leads to the formation of the title compound [(H(2)fip)(bipy)], C(8)H(5)FO(4)·C(10)H(8)N(2), with an acid-base molar ratio of 1:1. The acid and base subunits are arrange alternately in the crystal structure, displaying a wave-like tape motif via inter-molecular O-H⋯N and C-H⋯O hydrogen bonds [carbox-yl-pyridine synthon of R(2) (2)(7) hydrogen-bond notation], which are further combined into a two-dimensional architecture through C-H⋯F inter-actions involving the bipy and H(2)fip mol-ecules.

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