Crystal structure of octane-1,8-diaminium 4,4'-(diazene-1,2-di-yl)dibenzoate monohydrate.
ABSTRACT: The title salt, C8H22N22+·C14H8N2O42-·H2O, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4'-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetry), a 4,4'-azinodibenzoate anion [dihedral angle between the aromatic rings = 10.22?(4)°] and a water mol-ecule of crystallization. One of the cations is in a fully extended linear conformation while the second one has a terminal C-C-C-N gauche conformation. In the crystal, the cations, anions and water mol-ecules are linked into a three-dimensional network via a complex pattern of charge-assisted N-H?O and O-H?O hydrogen bonds.
Project description:In the title salt, C(2)H(10)N(2) (2+)·C(14)H(8)O(6)S(2-), both the ethyl-ene-diaminium cations and the 4,4'-sulfonyl-dibenzoate dianions have crystallographic twofold rotational symmetry. They are inter-linked by aminium N-H?O(carboxyl-ate) hydrogen-bonding associations, giving sheets parallel to (101) and are further linked along , forming a three-dimensional structure.
Project description:The asymmetric unit of the title salt, C(6)H(20)N(4) (2+)·2I(-), comprises half a 3,6-diaza-octane-1,8-diaminium dication plus an I(-) anion. The dications are symmetrical and lie across crystallographic centres of inversion. In the crystal, the ions form a network involving mainly weak N-H?I inter-molecular inter-actions: two H atoms of the ammonium group form inter-actions with two I(-) anions and the H atom of the secondary amine forms a weak inter-action with a third I(-) cation. The third ammonium H atom is hydrogen bonded to a secondary amine of an adjacent cation. The backbone of the cation does not form a uniformly trans chain, but is 'kinked' [C-N-C-C torsion angle = 71.5?(2)°], probably to accommodate the direct hydrogen bond between the ammonium group and the secondary amine in an adjacent cation.
Project description:In the title compound, C(6)H(14)N(2+)·C(8)H(4)O(4) (2-), the protonated 1,4-diazo-niabicyclo-[2.2.2]octane cations and the deprotonated terephthalate anions are alternately linked by N-H?O hydrogen bonds into chains.
Project description:In the title compound, C(2)H(10)N(2) (2+)·2C(9)H(3)Br(4)O(4) (-)·CH(4)O, the N atoms of the ethane-1,2-diamine mol-ecule are protonated. The crystal structure is stabilized by N-H?O hydrogen bonds between the ethane-1,2-diaminium cations and 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)bromo-benzoate anions, and by O-H?O and N-H?O hydrogen bonds between the methanol solvate and both the cation and the anion. In addition, the crystal structure exhibits a C-Br?O halogen bond [3.20?(3)?Å] and a Br?Br inter-action [3.560?(2)?Å].
Project description:In the title compound, [Cu(C(16)H(20)N(2)S(2))(H(2)O)](NO(3))(2)·CH(3)CN, the Cu(II) atom displays a distorted square-pyramidal coordination, in which a water mol-ecule occupies the apical position and the basal plane is formed by two N atoms and two S atoms of a 1,8-bis-(pyridin-2-yl)-3,6-dithia-octane ligand. The crystal packing is stabilized by O-H?O and C-H?O hydrogen bonds.
Project description:In the title compound, (C(6)H(14)N(2))[Mg(H(2)O)(6)](SO(4))(2), the Mg(II) ion, lying on an inversion center, is coordinated by six water mol-ecules in a slightly distorted octa-hedral geometry. The 1,4-diazo-niabicyclo-[2.2.2]octane cation is located about a twofold rotation axis. Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the cations and the anions into a three-dimensional network.
Project description:The asymmetric unit of the title salt, [H<sub>3</sub>N(CH<sub>2</sub>)<sub>6</sub>NH<sub>3</sub>][(HO)O<sub>2</sub>P(CH<sub>2</sub>)<sub>6</sub>PO<sub>2</sub>(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis-(hydrogen phospho-nate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2<i>a</i> and 2<i>d</i>) of the space group <i>P</i>2<sub>1</sub>/<i>c</i>. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH<sub>2</sub> groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phospho-nate (-PO<sub>3</sub>H) groups of the anions and the aminium groups of the cations form two-dimensional O-H? and O-H?N hydrogen-bonded networks parallel to the <i>ac</i> plane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptors <i>R</i><sub>3</sub><sup>3</sup>(10) and <i>R</i><sub>5</sub><sup>4</sup>(12), respectively. These networks are linked by the alkyl-ene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-di-amino-hexane and hexane-1,6-di-phospho-nic acid.
Project description:The asymmetric unit of the title compound, [H(3)N(CH(2))(5)NH(3)](2)I[I(3)](3) or 2C(5)H(16)N(2) (2+)·3I(3) (-)·I(-), consists of two crystallographically independent pentane-1,5-diaminium dications and two triiodide anions in general positions besides two additional triiodide and two iodide anions located on twofold axes. The compound crystallizes in the centrosymmetric monoclinic space group P2/n. The structure refinement was handicapped by the pseudosymmetry (pseudo-centering) of the structure and by twinning. The crystal structure is composed of two alternate layers, which differ in their arrangement of the pentane-1,5-diaminium dications and the iodide/triiodide anions and which are connected via weak to medium-strong N-H?I hydrogen bonds, constructing a complex hydrogen-bonded network.
Project description:The asymmetric unit of the title salt, C(3)H(12)N(2) (2+)·2C(8)H(7)O(3) (-), contains two 4-meth-oxy-benzoate anions and one propane-1,2-diaminium cation. All the amino H atoms of the cation are involved in N-H?O hydrogen bonds with the carboxyl-ate O atoms of the anions.
Project description:The asymmetric unit of the title compound, C(20)H(18)N(2)O(2) (2+)·2Cl(-), is composed of one-half of the 2,5-dibenzoyl-benzene-1,4-diaminium dication, located on a centre of inversion, and one Cl(-) ion. The dihedral angle between the central benzene ring and the benzoyl phenyl ring is 53.3?(2)°. In the crystal structure, ions are linked to form a two-dimensional network parallel to the (10) plane by N-H?Cl hydrogen bonds.