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Benzene-1,3,5-tricarb-oxy-lic acid-5-(4-pyrid-yl)pyrimidine (1/1).

ABSTRACT: In the pyrimidine mol-ecule of the title compound, C(9)H(7)N(3)·C(9)H(6)O(6), the pyridine ring is oriented at 33.26?(11)° with respect to the pyrimidine ring. In the benzene-1,3,5-tricarb-oxy-lic acid mol-ecule, the three carb-oxy groups are twisted by 7.92?(9), 8.68?(10) and 17.07?(10)° relative to the benzene ring. Classical O-H?N and O-H?O hydrogen bonds and weak C-H?O and C-H?N hydrogen bonds occur in the crystal structure.

SUBMITTER: Jiang YK

PROVIDER: S-EPMC3254286 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Benzene-1,3,5-tricarb-oxy-lic acid-5-(4-pyrid-yl)pyrimidine (1/1).

Jiang Yan-Ke YK Hou Gui-Ge GG

Acta crystallographica. Section E, Structure reports online 20111203 Pt 1

In the pyrimidine mol-ecule of the title compound, C(9)H(7)N(3)·C(9)H(6)O(6), the pyridine ring is oriented at 33.26 (11)° with respect to the pyrimidine ring. In the benzene-1,3,5-tricarb-oxy-lic acid mol-ecule, the three carb-oxy groups are twisted by 7.92 (9), 8.68 (10) and 17.07 (10)° relative to the benzene ring. Classical O-H⋯N and O-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯N hydrogen bonds occur in the crystal structure. ...[more]

PMID: 22259560

Similar Datasets

Acridine-benzene-1,3,5-tricarb-oxy-lic acid (3/1).

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Benzene-1,3,5-tricarb-oxy-lic acid-1,10-bis-(1,2,4-triazol-1-yl)deca-ne-water (1/1/2).

Project description:In the title 1:1:2 association, C(14)H(24)N(6)·C(9)H(6)O(6)·2H(2)O, the alkyl chain in the 1,10-bis-(1,2,4-triazol-1-yl)decane mol-ecule adopts an extended conformation and the dihedral angle between the aromatic rings is 10.28?(13)°. The benzene-1,3,5-tricarb-oxy-lic acid mol-ecule is close to being planar (r.m.s. deviation = 0.052?Å). In the crystal, the components are linked by O-H?O and O-H?N hydrogen bonds, generating a layered network.

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Project description:In the title compound, C(12)H(10)N(2)·C(8)H(6)O(4), the asymmetric unit contains two halves of 1,2-bis-(4-pyrid-yl)ethene (bpe) mol-ecules and one benzene-1,3-dicarb-oxy-lic acid (1,3-H(2)BDC) mol-ecule. These bpe and 1,3-H(2)BDC mol-ecules are linked by classical O-H?N hydrogen bonds, forming an extended one-dimensional zigzag chain. Each chain is further linked with neighboring ones by ?-? inter-actions between the pyridine and aromatic rings [centroid-centroid distances = 3.9306?(15)?Å] and the pyridine rings of pairs of symmetry-related mol-ecules [centroid-centroid distances = 3.5751?(15), 3.7350?(15) and 3.6882?(15)?Å], with the formation of a three-dimensional supra-molecular framework.

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Project description:Slow co-crystallization of a solution of benzene-1,3,5-tri-carb-oxy-lic acid with a large excess of 4-hy-droxy-pyridine produces an inter-penetrating, three-dimensional, hydrogen-bonded framework consisting of three 4-pyridone and one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecules, C9H6O6·3C5H5NO. This structure represents an ortho-rhom-bic polymorph of the previously reported C-centered, monoclinic structure [Campos-Gaxiola et al. (2014 ▸). Acta Cryst. E70, o453-o454].

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Pyrimidine-4-carb-oxy-lic acid.

Project description:The crystal structure of the title compound, C5H4N2O2, is built of acid mol-ecules located on a mirror plane. They form sheets stacked along the b-axis direction. The mol-ecules inter-act via O-H?N hydrogen bonds, forming [001] chains, and weak van der Waals inter-actions.

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Project description:Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally from a hydro-thermal reaction of 5-[(1H-benzimidazol-1-yl)meth-yl]isophthalic acid with manganese bromide in the presence of N,N'-dimethyl-formamide. In the title mol-ecule, the benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.010 (2) Å. The benzimidazole and central benzene rings are inclined at a dihedral angle of 71.7 (6)°. The crystal structure is stabilized by O-H⋯N and O-H⋯O hydrogen bonds.

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Benzene-1,3,5-tri-carb-oxy-lic acid-pyridinium-2-olate (1/3).

Project description:The asymmetric unit of the title compound, C9H6O6·3C5H5NO, contains one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecule (BTA) and three pyridin-2-ol mol-ecules each present in the zwitterion form. In the crystal, these entities are linked through O-H?O(-) and N(+)-H?O(-) hydrogen bonds, forming sheets parallel to (10-1). These layers contain macrocyclic rings of composition [BTA]2[pyol]6 and with graph-set notation R (6) 8(44), which are stacked along c through ?-? inter-actions [inter-centroid distances = 3.536?(2)-3.948?(3)?Å]. They are inter-connected by N(+)-H?O(-) hydrogen-bonded chains of pyridin-2-ol mol-ecules running parallel to c, forming a three-dimensional network. There are also C-H?O hydrogen bonds present which reinforce the three-dimensional structure.

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4-[(4-Meth-oxy-benzene-sulfonamido)-meth-yl]cyclo-hexane-1-carb-oxy-lic acid.

Project description:In the title compound, C(15)H(21)NO(5)S, two crystallographically independent mol-ecules are linked into a dimer by a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are further linked by inter-molecular O-H⋯O hydrogen bonds into a two-dimensional network parallel to (012). Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

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