ABSTRACT: The title compound, C(9)H(9)N(3)O(6), was synthesized by the condensation of methyl 3,5-dinitro-benzoate and 2-amino-ethanol. The non-centrosymmetric space group results in the formation of pseudo-chiral helices in the crystal structure, which exhibits a layer packing structure involving intra-molecular N-H?O and O-H?O inter-actions.
Project description:The asymmetric unit of the title compound, [Rb(C(7)H(3)N(2)O(6))(C(7)H(4)N(2)O(6))](n), comprises an Rb(+) cation, a 3,5-dinitro-benzoate anion and a 3,5-dinitro-benzoic acid ligand. The Rb(+) cation is nine-coordinated by O atoms from four 3,5-dinitro-benzoate anions and three neutral 3,5-dinitro-benzoic acid ligands. The metal atom is firstly linked by four bridging carboxyl groups, forming a binuclear motif, which is further linked by the nitro groups into a two-dimensional framework along the  direction. A short O-H?O hydrogen bond between two adjacent carboxy/carboxylate groups occurs.
Project description:The asymmetric unit of the title compound, [Rb(C(7)H(3)N(2)O(6))](n), comprises an Rb cation and a 3,5-dinitro-benzoate anion. The Rb cation is eight-coordinated by O atoms from five 3,5-dinitro-benzoate anions. On the other hand, each 3,5-dinitro-benzoate anion links five Rb cations with the carboxyl-ate groups as ?(3)-bridging. The metal atom is firstly linked by the carboxyl-ate groups into a chain along the c-axis direction, which is further linked by bonds between the Rb and nitro O atoms, giving a three-dimensional framework.
Project description:In the title compound, C(10)H(10)N(4)O(5)S·C(9)H(9)N(3)O(5), the amide groups of 3-(3,5-dinitro-benzo-yl)-1,1-dimethyl-thio-urea and N,N-dimethyl-3,5-dinitro-benzamide mol-ecules are oriented at dihedral angles of 39.13?(8) and 55.97?(11)°, respectively, to the attached benzene rings. In the crystal, the two mol-ecules are linked by an N-H?O hydrogen bond. Weak C-H?O link the mol-ecules into a sheet parallel to the bc plane. C-H?S inter-actions also occur.
Project description:A new coordination polymer, [Cu(C(7)H(2)N(2)O(7))(C(5)H(5)NO)](n), exhibits a double-chain structure, in which 3,5-dinitro-2-oxidobenzoate and 3-hydroxy-pyridine both act as bridging ligands, -connecting adjacent copper(II) centers to form an infinite double-stranded chain. The asymmetric unit contains one Cu(II) ion, one 3,5-dinitro-2-oxidobenzoate ligand and a 3-hydroxy-pyridine ligand. Coordination by one N atom and three O atoms from two different 3,5-dinitro-2-oxidobenzoate ligands and a 3-hydroxy-pyridine ligand creates a square-planar Cu(II) center, which is augmented by a less tightly bonded fifth phenol O atom to form a square-pyramidal five-coordinate complex with an essentially planar base. The double-stranded chains are stabilized by intra-chain ?-? inter-actions [the centroid-to-centroid distance between adjacent aromatic rings is 3.719?(7)?Å], and further linked through O-H?O hydrogen bonds, forming a three-dimensional supra-molecular network.
Project description:The crystal structure of the title compound, C(7)H(10)N(+)·C(7)H(3)N(2)O(6) (-), displays N-H?O hydrogen bonding between the ammonium groups and the O atoms of the 3,5-dinitro-benzoate anions. Inter-molecular C-H?O inter-actions further stabilize the packing. An O atom of each of the nitro groups is disordered over two sites with site occupancy factors of 0.59?(5) and 0.41?(6).
Project description:The title compound, [(2S,5R,6S,9R)-6-isopropyl-9-methyl-1,4-dioxaspiro-[4.5]dec-2-yl]methyl 3,5-dinitro-benzoate, C(20)H(26)N(2)O(8), was synthesized as part of a study of three-carbon stereochemical systems. The crystallographic assignment of the absolute stereochemistry is consistent with having started with (-)-menthone, the acetal carbon is R and the secondary alcohol is S. This brings the dinitro-benzoate into approximately the same plane as the menthyl ring and anti to the isopropyl group. Close inter-molecular C=O?NO(2) contacts between neighboring mol-ecules [2.8341?(16)?Å] contribute to the packing arrangement. The structure was refined as a pseudo-merohedral twin (monoclinic space group P2(1) emulating the ortho-rhom-bic space group C222(1)). Application of the twin law 100, 00, 0 gave a 2:1 ratio of twin moieties [refined BASF value = 0.3790?(7)].
Project description:In the structure of the title compound, [Mg(C7H3N2O6)2(H2O)4]·4H2O, the slightly distorted octa-hedral MgO6 coord-in-ation polyhedron comprises two trans-related carboxyl-ate O-atom donors from mononodentate 3,5-dinitro-benzoate ligands, and four water mol-ecules. The coordinating water mol-ecules and the four water mol-ecules of solvation give both intra- and inter-unit O-H?O hydrogen-bonding inter-actions with carboxyl-ate, water and nitro O-atom acceptors, forming a three-dimensional structure.
Project description:The Co(II) atom (site symmetry ) in the title complex, [Co(C(7)H(3)N(2)O(6))(2)(CH(3)OH)(4)], exists within an octa-hedral O(6) donor set defined by two O-monodentate 3,5-dinitro-benzoate anions and four methanol O atoms. An intra-molecular O(m)-H?O(c) (m = methanol and c = carbon-yl) hydrogen bond leads to the formation of an S(6) ring. In the crystal, centrosymmetrically related mol-ecules associate via further O(m)-H?O(c) hydrogen bonds, leading to linear supra-molecular chains propagating along the a-axis direction.
Project description:In the title compound, C(6)H(10)N(3) (+)·C(7)H(3)N(2)O(6) (-)·2H(2)O, the amino-pyrimidine mol-ecule is protonated at one of the pyrimidine N atoms. The carboxyl-ate group of the 3,5-dinitro-benzoate anion inter-acts with the protonated pyrimidine N atom and the 2-amino group through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) motif. Two inversion-related pyrimidine rings are linked via a pair of N-H?N hydrogen bonds, also forming an R(2) (2)(8) ring motif.
Project description:THE TITLE COMPOUND [SYSTEMATIC NAME: 4-diphenyl-methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb-oxy-4,6-dinitro-pheno-late], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (-), is the dinitro-salicylate salt of a tertiary amine. Deprotonation of the carb-oxy-lic acid group occurred on the phenolic hy-droxy group. The diaza-cyclo-hexane ring adopts a chair conformation. Intra-molecular O-H?O and inter-molecular C-H?O and N-H?O hydrogen bonds are observed. The N-H?O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitro-salicylate ions together. Inter-molecular C-H?O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.