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Tetra-methyl 4,4'-carbonyl-bis(benzene-1,2-dicarboxyl-ate).

ABSTRACT: In the mol-ecule of the title compound, C(21)H(18)O(9), the two aromatic rings are aligned at an angle of 49.7 (1)°.

SUBMITTER: Zhu XY

PROVIDER: S-EPMC2968872 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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Tetra-methyl 4,4'-carbonyl-bis(benzene-1,2-dicarboxyl-ate).

Zhu Xin-Yi XY Gao Guo-Wei GW Men Jian J Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090319 Pt 4

In the mol-ecule of the title compound, C(21)H(18)O(9), the two aromatic rings are aligned at an angle of 49.7 (1)°. ...[more]

PMID: 21582518

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Tetra-aqua-bis-[1-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium-κN]zinc bis-(4,5-carb-oxy-benzene-1,2-dicarboxyl-ate) 2.5-hydrate.

Project description:In the complex cation of the title compound, [Zn(C(17)H(13)N(2)O(2))(2)(H(2)O)(4)](C(10)H(4)O(8))(2)·2.5H(2)O, the Zn(II) atom, lying on an inversion center, is coordinated by two N atoms from two N-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium ligands and four water mol-ecules in a distorted octa-hedral geometry. The pyromellitate anion is double deprotonated. O-H⋯O and C-H⋯O hydrogen bonds connect the cations, anions and uncoordinated water mol-ecules into a three-dimensional supra-molecular network. One of the two lattice water molecules shows an occupancy of 0.25. An intra-molecular O-H⋯O hydrogen bond is present in the anion.

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Synthesis and crystal structure of tetra-methyl (<i>E</i>)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate).

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Bis(benzyl-aminium) 4,5-dichloro-benzene-1,2-dicarboxyl-ate monohydrate.

Project description:In the structure of the title salt, 2C(7)H(10)N(+)·C(8)H(2)Cl(2)O(4) (2-)·H(2)O, the two benzyl-aminium anions have different conformations, one being essentially planar and the other having the side chain rotated out of the benzene plane [minimum ring to side-chain C-C-C-N torsion angles = -3.6 (6) and 50.1 (5)°, respectively]. In the 4,5-dichloro-phthalate dianion, the carboxyl-ate groups make dihedral angles of 23.0 (2) and 76.5 (2)° with the benzene ring. In the crystal, aminium N-H⋯O and water O-H⋯O hydrogen-bonding associations with carboxyl-ate O-atom acceptors give a two-dimensional duplex sheet structure which extends along the (011) plane. Weak π-π inter-actions are also present between the benzene ring of the dianion and one of the cation rings [minimum ring centroid separation = 2.749 (3) Å].

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Poly[[diaqua-[μ(4)-4,4'-carbonyl-bis(benzene-1,2-dicarboxyl-ato)]bis-(dipyrido[3,2-a:2',3'-c]phenazine)dicadmium(II)] monohydrate].

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Bis(propane-1,2-diammonium) benzene-1,2,4,5-tetra-carboxyl-ate dihydrate.

Project description:In the crystal of the title hydrated molecular salt, 2C(3)H(12)N(2) (2+)·C(10)H(2)O(8) (4-)·2H(2)O, the packing is stabilized by extensive N-H⋯O and O-H⋯O hydrogen-bonding inter-actions involving all three species, forming a supra-molecular three-dimensional structure. The tetraanion is generated by inversion.

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Diethyl 4,5-diphenyl-3,6-bis-(trimethyl-sil-yl)benzene-1,2-dicarboxyl-ate.

Project description:In the title compound, C(30)H(38)O(4)Si(2), the two phenyl rings are twisted away from the central benzene ring by 70.28 (8) and 67.42 (7)°. The two Si atoms attached to the benzene ring deviate in opposite directions from the ring plane by 0.258 (3) and 0.206 (3) Å, respectively. One ethyl group is disordered over two conformations in a 0.568 (5):0.432 (5) ratio. The crystal packing exhibits weak inter-molecular C-H⋯O inter-actions.

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1,3-Dimethyl 5-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxyl-ate.

Project description:The title compound, C(16)H(21)BO(6), has has approximate C(2) symmetry, but no crystallographically imposed mol-ecular symmetry. In the crystal, mol-ecules are packed into parallel columns along the a axis. Short inter-molecular C-H⋯O contacts stabilize the crystal packing.

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Poly[[dodeca-aqua-(μ(4)-benzene-1,4-dicarboxyl-ato)(μ(2)-4,4'-bipyridine-κ(2)N:N')dicerium(III)] bis-(benzene-1,4-dicarboxyl-ate)].

Project description:The asymmetric unit of the title compound, {[Ce(2)(C(8)H(4)O(4))(C(10)H(8)N(2))(H(2)O)(12)](C(8)H(4)O(4))(2)}(n), consists of half a Ce(III) cation, a quarter of a coordinated benzene-1,4-dicarboxyl-ate (bdc(2-)) dianion, a quarter of a 4,4'-bipyridine (bpy) mol-ecule, three water mol-ecules and a half of an uncoordinated benzene-1,4-dicarboxyl-ate dianion. The Ce(III) ion is located on a twofold rotation axis and exhibits a distorted trigonal prism square-face tricapped coordination geometry. The coordinated and uncoordinated bdc(2-) ions and the bpy mol-ecule lie about special positions of site symmetries 2/m, m and 2/m, respectively. The Ce(III) ions are bridged by the bdc(2-) and bpy ligands, giving a sheet structure parallel to the ac plane. The uncoordinated bdc(2-) dianion exists between the sheets and links the sheets by inter-molecular O-H⋯O hydrogen bonds between the uncoordinated bdc(2-) and coordinated water mol-ecules. A π-π stacking inter-action between the uncoordinated bdc(2-) dianion and the bpy ligand [centroid-centroid distance = 3.750 (4) Å] is also observed.

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Project description:The crystal structure of the title compound, (C(10)H(9)N(2))(2)[Mn(2)(C(10)H(8)N(2))(3)(H(2)O)(8)](C(8)H(3)O(7)S)(2)·C(10)H(8)N(2)·15H(2)O, consists of dinuclear Mn(II) complex cations, sulfonato-benzene-dicarboxyl-ate trianions, 4-(4-pyridyl)pyridinium cations, uncoordin-ated 4,4'-bipyridine and uncoordinated water mol-ecules. One 4,4'-bipyridine mol-ecule bridges two Mn atoms, forming a centrosymmetric dinuclear complex; the mid-point of the C-C bond linking the pyridine rings of the bridging ligand is located on an inversion center. Each Mn(II) atom is coordinated by four water and two 4,4'-bipyridine mol-ecules in a distorted octa-hedral geometry. The Mn(II) atom deviates by 0.591 (5) and 0.209 (2) Å from the mean planes of the coordinated pyridine rings. In the 4-(4-pyridyl)pyridinium cation, the two pyridine rings are twisted with respect to each other, making dihedral angle of 34.78 (17)°. The uncoordinated bipyridine mol-ecule is also centrosymmetric. One of uncoordinated water mol-ecules has site symmetry 2, and the other uncoordinated water mol-ecule is located close to an inversion center and its one H atom is disordered equally over two sites. Extensive π-π stacking between pyridine rings is observed and an extensive hydrogen-bonding network of the types N-H⋯N, O-H⋯N and O-H⋯O is present.

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