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Propane-1,3-diaminium bis-(perchlorate)-18-crown-6 (1/2).

ABSTRACT: In the title compound, C(3)H(12)N(2) (2+)·2ClO(4) (-)·2C(12)H(24)O(6), the central C atom of the propane-1,3-diammonium cation is located on a twofold rotation axis and the two terminal -NH(3) groups insert into the crown rings through N-H?O hydrogen bonding, resulting in the formation of a 1:2 supra-molecular [(C(3)H(12)N(2))·(C(12)H(24)O(6))(2)](+) complex. The perchlorate anion links with the supra-molecular complex via weak C-H?O hydrogen bonding.

SUBMITTER: Zhao MM

PROVIDER: S-EPMC3275015 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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Propane-1,3-diaminium bis-(perchlorate)-18-crown-6 (1/2).

Zhao Min-Min MM

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

In the title compound, C(3)H(12)N(2) (2+)·2ClO(4) (-)·2C(12)H(24)O(6), the central C atom of the propane-1,3-diammonium cation is located on a twofold rotation axis and the two terminal -NH(3) groups insert into the crown rings through N-H⋯O hydrogen bonding, resulting in the formation of a 1:2 supra-molecular [(C(3)H(12)N(2))·(C(12)H(24)O(6))(2)](+) complex. The perchlorate anion links with the supra-molecular complex via weak C-H⋯O hydrogen bonding. ...[more]

PMID: 22346960

Similar Datasets

Propane-1,3-diaminium bis-(tetra-fluoro-borate)-18-crown-6 (1/2).

Project description:In the title compound, C(3)H(12)N(2) (2+)·2BF(4) (-)·2C(12)H(24)O(6), the central C atom of the propane-1,3-diammonium cation lies on a crystallographic twofold rotation axis. The terminal NH(3) (+) groups insert into the crown rings through strong N-H?O hydrogen-bonding inter-actions, resulting in the formation of a 1:2 supra-molecular [(C(3)H(12)N(2))·(C(12)H(24)O(6))(2)](2+) complex. The anions are linked to the supra-molecular complexes via weak C-H?F hydrogen bonds. The F atoms of the anion are disordered over two orientations with site occupancies of 0.5.

| S-EPMC3275199 | biostudies-literature

Bis(propane-1,3-diaminium) hexa-fluoridoferrate(III) fluoride trihydrate.

Project description:The asymmetric unit of the title iron hybrid fluoride, (C(3)H(12)N(2))(2)[FeF(6)]F·3H(2)O, contains two propane-1,3-diamin-ium [(H(2)dap)(2+)] cations, an octa-hedral [FeF(6)](3-) anion, an isolated F(-) anion and three water mol-ecules of solvation. Each [FeF(6)](3-) anion is surrounded by four separate hydrogen-bonded water mol-ecules in the equatorial sites and by five separate aminium cation donor groups. The axial F atoms are only involved in N-H?F hydrogen bonds, resulting in a three-dimensional structure.

| S-EPMC2979354 | biostudies-literature

Propane-1,3-diaminium bis-(pyridine-4-carboxyl-ate) monohydrate.

Project description:The asymmetric unit of the title compound, C(3)H(12)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated propane-1,3-diammonium dication, a pyridine-4-carboxyl-ate anion and half of a solvent water mol-ecule; the dication and the solvent water are located on a twofold rotation axis which passes through the central C atom of the dication and the water O atom. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal, the components are linked by inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds.

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Project description:In the title compound, {[Cu(C(7)H(8)N(4)S(4))(4)](ClO(4))(2)}(n), the Cu(II) atom, occupying a crystallographic inversion centre, is six-coordinated by six N atoms of three symmetry-related 2,2'-(propane-1,3-diyldithio)bis-(1,3,4-thia-diazole) (L) ligands in a slightly distorted octa-hedral geometry. The ligand L adopts two kinds of coordination modes in the crystal structure; one is a monodentate coordination mode and serves to complete the octa-hedral coordination of the Cu atom and the other is an N:N'-bidentate bridging mode in a trans configuration, bridging Cu atoms via translation symmetry along the b axis into a chain structure. The perchlorate ions serve as acceptors for inter-molecular C-H?O hydrogen bonds, which link the chains into a three-dimensional network.

| S-EPMC2968698 | biostudies-literature

Propane-1,2-diaminium bis-(4-meth-oxy-benzoate).

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| S-EPMC3151787 | biostudies-literature

trans-Diaqua-bis{1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane}zinc(II) bis-(perchlorate).

Project description:The Zn(II) ion in the title compound, [Zn(C(15)H(14)N(10))(H(2)O)(2)](ClO(4))(2), lies on a centre of symmetry. The distorted N(4)O(2) octa-hedral coordination environment around the Zn atom is composed of two 1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane ligands (L1) and two water mol-ecules, coordinated in trans positions. The ligand acts as a typical bidentate chelating ligand through one of its 2-pyridyl-2H-tetra-zole units, forming a five-membered Zn-N-C-C-N metallacycle with a small N-Zn-N bite angle [77.40 (8)°]. The other 2-pyridyl-2H-tetra-zole unit remains uncoordinated. The average Zn-N distance (2.156 Å) is somewhat longer than the distance between the Zn(II) center and the aqua ligand [2.108 (2) Å]. The coordinated pyrid-yl-tetra-zoyl rings are quasi-coplanar, making a dihedral angle of 1.9 (2)°, while the uncoordinated rings show a larger inter-planar angle of 21.3 (2)°. The flexible propane spacer displays a zigzag chain. Inter-molecular O-H⋯N and O-H⋯O inter-actions result in two-dimensional polymeric structures parallel to (100). Two C atoms of the spacer are disordered over two positions, with site occupancy factors of ca 0.85 and 0.15.

| S-EPMC2960969 | biostudies-literature

catena-Poly[bis-(propane-1,3-diaminium) [[aqua-(sulfato-?O)bis-(sulfato-?O,O')cerate(IV)]-?-sulfato-?O,O':O''] dihydrate].

Project description:The Ce(IV) atom in the title salt, {(H(3)NCH(2)CH(2)CH(2)NH(3))(2)[Ce(SO(4))(4)(H(2)O)]·2H(2)O}(n), exists in a monocapped square-anti-prismatic coordination geometry. The water-coordinated metal atom is bonded to four sulfate ions; one of them is monodentate and two function in a chelating mode. The fourth is also chelating but it uses one of the other two O atoms to bind to an adjacent metal atom, generating a polyanionic chain. The cations are linked to the polyanionic chain as well as to the uncoordinated water mol-ecules, resulting in an O-H?O and N-H?O hydrogen-bonded three-dimensional network.

| S-EPMC3099775 | biostudies-literature

Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

Project description:The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular N-H?F and O-H?F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H?O hydrogen bonds and further consolidate the packing.

| S-EPMC4257444 | biostudies-literature

[1,3-Bis(diphenyl-phosphan-yl)propane-?P,P'](1,10-phenanthroline-?N,N')copper(I) perchlorate.

Project description:The title compound, [Cu(C(12)H(8)N(2))(C(27)H(26)P(2))]ClO(4), crystallizes with two Cu(I) complex cations and two perchlorate anions in the asymmetric unit. Each Cu(I) cation is four-coordinated by two P atoms of a 1,3-bis-(diphenyl-phosphan-yl)propane mol-ecule and two N atoms of a 1,10-phenanthroline ligand, with a coordination geometry that can be considered as distorted tetra-hedral. The crystal studied was twinned with a twin ratio of 0.786?(2):0.214?(2).

| S-EPMC3238633 | biostudies-literature

catena-Poly[[[diaqua-cobalt(II)]bis-(μ-1,3-di-4-pyridylpropane-κN:N')] bis-(perchlorate) bis-(1,3-di-4-pyridyl-propane) bis-(2-methyl-4-nitro-aniline)].

Project description:In the title compound, {[Co(C(13)H(14)N(2))(2)(H(2)O)(2)](ClO(4))(2)·2C(13)H(14)N(2)·2C(7)H(8)N(2)O(2)}(n), the Co(II) ion lies on a crystallographic inversion center and is coordinated by four N atoms from four symmetry-related 1,3-di-4-pyridylpropane ligands and two O atoms from two water ligands in a slightly distorted octa-hedral coordination environment. The 1,3-di-4-pyridylpropane ligands are doubly bridging and connect the Co(II) ions into one-dimensional chains. The asymmetric unit also contains one uncoordinated 1,3-di-4-pyridylpropane mol-ecule, one 2-methyl-4-nitro-aniline mol-ecule and one perchlorate anion. In the crystal structure, inter-molecular O-H⋯N hydrogen bonds connect the one-dimensional chains into a two-dimensional network.

| S-EPMC2960494 | biostudies-literature

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