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Crystal structure of the co-crystal of 5-amino-isophthalic acid and 1,2-bis(pyridin-4-yl)ethene.

ABSTRACT: In the title 1:1 co-crystal, C12H10N2·C8H7NO4, the bi-pyridine moiety shows whole-mol-ecule disorder over two sets of sites in a 0.588?(3): 0.412?(3) ratio. In the crystal, the components form hydrogen-bonded sheets linked by N-H?O and O-H?N inter-actions, which stack along the a axis. A comparison to a related and previously published co-crystal of 5-amino-isophthalic acid and the shorter 4,4'-bipryidine is presented.

SUBMITTER: McGuire SC

PROVIDER: S-EPMC4908539 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature

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Crystal structure of the co-crystal of 5-amino-isophthalic acid and 1,2-bis(pyridin-4-yl)ethene.

McGuire Scott C SC Travis Steven C SC Tuohey Daniel W DW Deering Thomas J TJ Martin Bob B Cox Jordan M JM Benedict Jason B JB

Acta crystallographica. Section E, Crystallographic communications 20160408 Pt 5

In the title 1:1 co-crystal, C12H10N2·C8H7NO4, the bi-pyridine moiety shows whole-mol-ecule disorder over two sets of sites in a 0.588 (3): 0.412 (3) ratio. In the crystal, the components form hydrogen-bonded sheets linked by N-H⋯O and O-H⋯N inter-actions, which stack along the a axis. A comparison to a related and previously published co-crystal of 5-amino-isophthalic acid and the shorter 4,4'-bipryidine is presented. ...[more]

PMID: 27308008

Similar Datasets

Poly[[bis-[?2-1,2-bis-(pyridin-4-yl)ethene-?(2) N:N']bis-(thio-cyanato-?N)cobalt(II)] 1,2-bis-(pyridin-4-yl)ethene monosolvate dihydrate].

Project description:The asymmetric unit of the title compound, {[Co(NCS)2(C12H10N2)2]·C12H10N2·2H2O} n , consists of two independent Co(II) cations, four distinct thio-cyanate anions, six 1,2-bis-(pyridin-4-yl)ethene (4-bpe) mol-ecules and four lattice water mol-ecules. The Co(II) cations are each coordinated by two N-bonded thio-cyanate anions and four 4-bpe ligands within a slightly distorted CoN6 octa-hedron. The two independent Co(II) cations are linked by the 4-bpe ligands into two distinct layers, parallel to the ac and bc planes, that inter-penetrate. From this arrangement, channels are formed in which non-coordinated 4-bpe and lattice water mol-ecules are hydrogen-bonded into chains that elongate in the c-axis direction.

| S-EPMC3884497 | biostudies-literature

Crystal structure of catena-poly[[[di-aqua-[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethen-yl]pyridinium}gold(I)iron(II)]-di-?-cyanido] bis-[dicyanido-gold(I)] 1,2-bis-(pyridin-4-yl)ethene dihydrate].

Project description:In the title compound [Fe(bpe)(Hbpe)Au(CN)2][Au(CN)2]2·bpe·2H2O} n [where bpe = 1,2-bis-(pyridin-4-yl)ethene, C12H10N2], the FeII ion is coordinated in a distorted octa-hedral [FeN4O2] environment by two di-cyano-aurate anions, two water mol-ecules and two partially protonated 1,2-di(4-pyrid-yl)ethyl-ene mol-ecules. Di-cyano-aurate anions bridge the FeII cations, forming infinite chains, which propagate along the a-axis direction. The chains are connected via aurophilic inter-actions with two non-coordinated di-cyano-aurate anions for each FeII ion. The polymeric chains inter-act with each other via ?-? stacking between the guest bpe mol-ecules and multiple hydrogen bonds.

| S-EPMC7274000 | biostudies-literature

A triclinic polymorph of poly[[bis-[?-1,2-bis-(pyridin-4-yl)ethene-?(2)N:N']bis-(thio-cyanato-?N)cobalt(II)] 1,2-bis-(pyridin-4-yl)ethene monosolvate].

Project description:In the crystal structure of the title compound, [Co(NCS)(2)(C(12)H(10)N(2))(2)]·C(12)H(10)N(2), the Co(II) cations are octa-hedrally coordinated by two terminally N-bonded thio-cyanate anions and four 1,2-bis-(pyridin-4-yl)ethene (bpe) ligands. The asymmetric unit consists of three crystallographically independent Co(II) cations, six thio-cyanate anions and six coordinating bpe ligands in general positions. Additionally, three non-coordin-ating bpe ligands are present in the asymmetric unit with two of them located on a center of inversion. The Co(II) cations are connected by the bpe ligands into layers parallel to the bc plane. The crystal investigated was non-merohedrically twinned, with a fractional contribution of 0.261?(2) for the minor domain.

| S-EPMC3379076 | biostudies-literature

Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pent-yloxy)benzoic acid-(E)-1,2-bis-(pyridin-4-yl)ethene (2/1) and 4-(n-hex-yloxy)benzoic acid-(E)-1,2-bis-(pyridin-4-yl)ethene (2/1).

Project description:The crystal structures of title hydrogen-bonded co-crystals, 2C12H16O3·C12H10N2, (I), and 2C13H18O3·C12H10N2, (II), have been determined at 93?K. In (I), the asymmetric unit consists of one 4-(n-pent-yloxy)benzoic acid mol-ecule and one half-mol-ecule of (E)-1,2-bis-(pyridin-4-yl)ethene, which lies about an inversion centre. The asymmetric unit of (II) comprises two crystallographically independent 4-(n-hex-yloxy)benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethene mol-ecule. In each crystal, the acid and base components are linked by O-H?N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. The 2:1 units are linked via C-H?? and ?-? inter-actions [centroid-centroid distances of 3.661?(2) and 3.909?(2)?Å for (I), and 3.546?(2)-3.725?(4)?Å for (II)], forming column structures. In (II), the base mol-ecule is orientationally disordered over two sets of sites approximately around the N?N mol-ecular axis, with an occupancy ratio of 0.647?(4):0.353?(4), and the average structure of the 2:1 unit adopts nearly pseudo-C2 symmetry. Both compounds show liquid-crystal behaviour.

| S-EPMC5137605 | biostudies-literature

Diaqua-bis-[1,2-bis-(pyridin-4-yl)ethene]-bis-[2-(4-carboxy-phen-yl)acetato]-cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(9)H(7)O(4))(2)(C(12)H(10)N(2))(2)(H(2)O)(2)], consists of one Co(2+) ion, one mono-deprotonated 2-(4-carboxyl-atophen-yl)acetate carboxylic acid, one 1,2-bis-(pyridin-4-yl)ethane mol-ecule and one water mol-ecule. The Co(II) atom is situated on a crystallographic center of inversion and is octa-hedrally coordinated by two O atoms from two anions, two N atoms of two 1,2-bis-(pyridin-4-yl)ethane mol-ecules and two O atoms from two water mol-ecules. A three-dimensional network is established by inter-molecular O-H?O and O-H?N hydrogen bonds.

| S-EPMC3152052 | biostudies-literature

Crystal structures of three co-crystals of 1,2-bis-(pyridin-4-yl)ethane with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-but-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1).

Project description:The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93?K, respectively. In (I), the asymmetric unit consists of one 4-eth-oxy-benzoic acid mol-ecule and one half-mol-ecule of 1,2-bis-(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alk-oxy-benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethane mol-ecule. In each crystal, the two components are linked by O-H?N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H?O hydrogen bonds, forming tape structures.

| S-EPMC4645034 | biostudies-literature

Crystal structure of [propane-1,3-diylbis(piperidine-4,1-di-yl)]bis-[(pyridin-4-yl)methanone]-isophthalic acid (1/1).

Project description:In the crystal structure of the title co-crystal, C25H32N4O2·C8H6O4, isophthalic acid and [propane-1,3-diylbis(piperidine-4,1-di-yl)]bis-(pyridin-4-yl-methanone) mol-ecules are connected into supra-molecular chains aligned along the c axis by O-H?N hydrogen bonding. These aggregate into supra-molecular layers oriented parallel to the ac plane by C-H?O inter-actions. These layers then stack in an ABCD pattern along the b-axis direction by additional C-H?O inter-actions to give the full three-dimensional crystal structure. The central chain in the di-pyridyl-amide molecule has an anti-gauche conformation.

| S-EPMC4257304 | biostudies-literature

5-(Pyridin-4-yl)isophthalic acid.

Project description:In the title compound, C(13)H(9)NO(4), the two carb-oxy-lic groups and the benzene ring are approximately co-planar with a maximum atomic deviation 0.175?(4)?Å, while the pyridine ring is oriented at a dihedral angle of 31.07?(18)° with respect to the benzene ring. In the crystal, mol-ecules are linked by O-H?O, O-H?N and weak C-H?O hydrogen bonds, forming a three-dimensional supra-molecular framework.

| S-EPMC3009156 | biostudies-literature

Crystal structures of four co-crystals of (E)-1,2-di(pyridin-4-yl)ethene with 4-alk-oxy-benzoic acids: 4-meth-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-eth-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-n-propoxybenzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-n-but-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1).

Project description:The crystal structures of four hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1), namely, 2C8H8O3·C12H10N2, (I), 2C9H10O3·C12H10N2, (II), 2C10H12O3·C12H10N2, (III) and 2C11H14O3·C12H10N2, (IV), have been determined at 93?K. In compounds (I) and (IV), the asymmetric units are each composed of one 4-alk-oxy-benzoic acid mol-ecule and one half-mol-ecule of (E)-1,2-di(pyridin-4-yl)ethene, which lies on an inversion centre. The asymmetric unit of (II) consists of two crystallographically independent 4-eth-oxy-benzoic acid mol-ecules and one 1,2-di(pyridin-4-yl)ethene mol-ecule. Compound (III) crystallizes in a non-centrosymmetric space group (Pc) and the asymmetric unit comprises four 4-n-propoxybenzoic acid mol-ecules and two (E)-1,2-di(pyridin-4-yl)ethane mol-ecules. In each crystal, the acid and base components are linked by O-H?N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. In (I), (II) and (III), inter-molecular C-H?O inter-actions are observed. The 2:1 units of (I) and (II) are linked via C-H?O hydrogen bonds, forming tape structures. In (III), the C-H?O hydrogen bonds, except for those formed in the units, link the two crystallographically independent 2:1 units. In (IV), no C-H?O inter-actions are observed, but ?-? and C-H?? inter-actions link the units into a column structure.

| S-EPMC5095858 | biostudies-other

Bis(?-3-carb-oxy-2-hy-droxy-propane-1,2-dicarboxyl-ato)bis(diaquazinc)-1,2-bis-(pyridin-4-yl)ethene-water (1/1/2).

Project description:The asymmetric unit of the title compound, [Zn(2)(C(6)H(6)O(7))(2)(H(2)O)(4)]·C(12)H(10)N(2)·2H(2)O, comprises half of a centrosymmetric complex dimer, half of a 1,2-bis-(pyridin-4-yl)ethene mol-ecule, which lies across an inversion centre, and one lattice water mol-ecule. Carboxyl-ate groups of two dianionic citrate ligands bridge two Zn(II) ions to give the cyclic dimer, with each Zn(II) ion coordinated by four O atoms from the chelating citrate ligand (one hy-droxy and three carboxyl-ate, with one bridging) and two water O atoms, forming a distorted octa-hedral environment [Zn-O = 2.040?(3)-2.244?(3)?Å]. In the crystal, O-H?O and O-H?N hydrogen bonds involving hy-droxy groups and both coordinating and lattice water mol-ecules link the dimers to give a three-dimensional framework structure.

| S-EPMC3470174 | biostudies-literature

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