M2(H2O)[μ10-C6H2(COO)4] (M = Ba2+, Pb2+) – Two Isotypic Three- Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations

Monoclinic single crystals of Ba2(H2O)[μ10-C6H2(COO)4] (1) and Pb2(H2O)[μ10-C6H2(COO)4] (2) were obtained using the silica gel method [space group C2/c (no. 15), Z = 4;1: a = 780.89(4), b = 1756.19(8), c = 914.80(5) pm, β = 114.512(5)°; 2: a = 756.70(10), b = 1772.8(2), c = 890.2(2) pm, β = 113.590(10)°]. There are two crystallographicallyindependent M2+ ions (M = Ba, Pb). M(1) is surrounded by eight carboxylate oxygen atoms and one water molecule forming a tricapped trigonal prism. M(2) is coordinated by ten carboxylate oxygen atoms in the shape of a tetracapped octahedron. The connection between the M(1) and M(2) polyhedra leads to infinite layers parallel to (010), which are linked by [C6H2(COO)4]4–anions to form a three-dimensional framework. The [C6H2(COO)4]4– anionadopts a μ10 coordination mode. Compound 1 reveals short Ba–Ba contacts of 426.46(2) pm, whereas the Pb–Pb distance of 411.01(6) pm in 2 is larger than twice the van der Waalsradius.

Co[(C6H10)(NH3)2][C6H2(COO)4] · 2H2O and Zn[(C6H12)(NH3)2][C6H2(COO)4] · 1/2H2O - Two Zeolite-Like Three-Dimensional Coordination Polymers

10.31219/osf.io/fqr6c ◽

2019 ◽

Author(s):

Roberto Köferstein

Keyword(s):

Thermogravimetric Analysis ◽

Coordination Polymer ◽

Single Crystals ◽

Coordination Polymers ◽

Three Dimensional ◽

Water Molecules ◽

Crystallographic Axis ◽

Excess Charge ◽

Space Group ◽

Monoclinic single crystals of Co[(C6H10)(NH3)2][C6H2(COO)4] · 2H2O have been prepared inaqueous solution at 80 °C. Space group C2/c (no. 15), a = 1065.92(8), b = 1568.97(9), c =1140.88(9) pm, β = 90.101(6)°, V = 1.9080(2) nm3, Z = 4. Co2+, which is situated on atwofold crystallographic axis, is coordinated in a moderately distorted tetrahedral fashion byfour oxygen atoms stemming from the pyromellitate anions (Co-O 197.87(12) and 200.64(12)pm). A three-dimensionally connected coordination polymer is made up by Co2+ andC6H2(COO)44- featuring channel-like voids, which accomodate water molecules and(C6H10)(NH3)22+ cations compensating for the negative excess charge of the three-dimensionalframework. Thermogravimetric analysis in air showed that the dehydrated compound wasstable between 198 and 361 °C. Further decomposition yielded CoO.Zn[(C6H12)(NH3)2][C6H2(COO)4]·1/2H2O (2) was prepared analogously to 1 employing 1, 6-diaminohexane. Space group P21/n (no. 14), a = 1087.78(8), b = 1515.18(11), c = 1162.21(10)pm, β=96.249(7)°, V = 1.9042(3) nm3, Z = 4. Zn2+ is coordinated tetrahedrally like Co2+ byoxygen atoms of the pyromellitate anions (Zn—O 195.0(4) - 197.8(4)). The connection ofZn2+ with the anions leads similar to 1 to a three-dimensional framework with voidsaccomodating (C6H12)(NH3)22+-cations and water molecules. 2 was stable anhydrouslybetween approx. 120 and 340 °C, the further decomposition was completed at 700 °C yieldingZnO.

Crystal structure of creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate: a potential anticonvulsant agent

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989016005247 ◽

2016 ◽

Vol 72 (5) ◽

pp. 620-623

Author(s):

Ponnusamy Poornima Devi ◽

Doraisamyraja Kalaivani

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Water Molecule ◽

Three Dimensional ◽

Pyrimidine Ring ◽

Membered Ring ◽

Anticonvulsant Agent ◽

The Mean ◽

Anions And Cations ◽

Molecular Salt

In the anion of the title hydrated molecular salt, C4H8N3O+·C12H9N4O7−·H2O [systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate], the 2,4-dinitrophenyl ring is inclined to the mean plane of the pyrimidine ring [r.m.s. deviation = 0.37 Å] by 43.24 (8)°. The five-membered ring of the creatininium cation (2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium) is essentially planar with an r.m.s. deviation of 0.015 Å. In the crystal, the anions and cations are linkedviaN—H...O hydrogen bonds, forming sheets parallel to theabplane. The sheets are linkedviaO—H...O hydrogen bonds involving the water molecule, forming a three-dimensional framework. Within the framework, there are C—H...O hydrogen bonds present. The title molecular salt displays anticonvulsant and hypnotic activities.

Crystal structure of 2-methyl-1H-imidazol-3-ium aquatrichlorido(oxalato-κ2O,O′)stannate(IV)

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015005988 ◽

2015 ◽

Vol 71 (5) ◽

pp. 520-522 ◽

Cited By ~ 3

Author(s):

Mouhamadou Birame Diop ◽

Libasse Diop ◽

Laurent Plasseraud ◽

Thierry Maris

Keyword(s):

Hydrogen Bonds ◽

Water Molecule ◽

Three Dimensional ◽

Free Oxygen ◽

Coordination Environment ◽

Dimensional Network ◽

Oxalate Ligand ◽

Distorted Octahedral ◽

Distorted Octahedral Coordination Environment ◽

The tin(IV) atom in the complex anion of the title salt, (C4H7N2)[Sn(C2O4)Cl3(H2O)], is in a distorted octahedral coordination environment defined by three chlorido ligands, an oxygen atom from a water molecule and two oxygen atoms from a chelating oxalate anion. The organic cation is linked through a bifurcated N—H...O hydrogen bond to the free oxygen atoms of the oxalate ligand of the complex [Sn(H2O)Cl3(C2O4)]−anion. Neighbouring stannate(IV) anions are linked through O—H...O hydrogen bonds involving the water molecule and the two non-coordinating oxalate oxygen atoms. In combination with additional N—H...Cl hydrogen bonds between cations and anions, a three-dimensional network is spanned.

The Layered Structure of Cu2(H2O)4[C4H4N2][C6H2(COO)4]·2H2O

10.31219/osf.io/456p8 ◽

2019 ◽

Author(s):

Roberto Köferstein

Keyword(s):

Nitrogen Atom ◽

Single Crystals ◽

Silica Gel ◽

Layered Structure ◽

Water Molecules ◽

Two Dimensional ◽

Space Group ◽

Distorted Octahedral ◽

Triclinic single crystals of Cu2(H2O)4[C4H4N2][C6H2(COO)4]·2H2O have been grown in anaqueous silica gel. Space group P-1 (Nr. 2), a = 723.94(7) pm, b = 813.38(14) pm, c = 931.0(2) pm, α = 74.24(2)°, β = 79.24(2)°, γ = 65.451(10)°, V = 0.47819(14) nm3, Z = 1. Cu2+ is coordinated in a distorted, octahedral manner by two water molecules, three oxygen atoms ofthe pyromellitate anions and one nitrogen atom of pyrazine (Cu—O 194.1(2)–229.3(3) pm;Cu–N 202.0(2) pm). The connection of Cu2+ and [C6H2(COO)4)]4− yields infinite strands,which are linked by pyrazine molecules to form a two-dimensional coordination polymer.Thermogravimetric analysis in air showed that the dehydrated compound was stable between175 and 248 °C. Further heating yielded CuO.

Komplexe mit substituierten 2,5-Dihydroxy-p-benzochinonen: EA[C6(NO2)2O4] · H2O (EA = Ca, Sr)/ Complexes with Substituted 2,5-D ihydroxy-p-benzoquinones: EA [C6(NO2)2O4] · 4H2O(EA = Ca, Sr)

10.1515/znb-1987-0808 ◽

1987 ◽

Vol 42 (8) ◽

pp. 972-976 ◽

Cited By ~ 11

Author(s):

Christian Robl

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Water Molecule ◽

Single Crystals ◽

Coordination Sphere ◽

Trigonal Prism ◽

Water Molecules ◽

Additional Water ◽

AbstractSingle crystals of EA[Q(NO2)2O4] · 4H2O (EA = Ca. Sr) were grown in aqueous silicagel. Ca2+ has CN 8. It is surrounded by 4 oxygen atoms of two bis-chelating [C6(NO2)2O4]2- ions and 4 water molecules, which form a distorted, bi-capped trigonal prism. Sr2+ is coordinated similarly, with an additional water molecule joining the coordination sphere to yield CN 8+1. Corrugated chains extending along [010] and consisting of EA2+ and nitranilate ions are the main feature of the crystal structure. Adjacent chains are interlinked by hydrogen bonds.

Synthesis and Crystal Structure of the New Telluric Acid Adduct (RbCl)3·Te(OH)6

10.1515/znb-2012-0101 ◽

2012 ◽

Vol 67 (1) ◽

pp. 1-4

Author(s):

Dirk Mahlmeister ◽

Elisabeth Irran

Keyword(s):

Crystal Structure ◽

Three Dimensional ◽

Molar Ratio ◽

X Ray Diffraction ◽

Tellurium Atom ◽

Synthesis And Crystal Structure ◽

Dimensional Network ◽

Tricapped Trigonal Prism ◽

Acid Adduct ◽

The new telluric acid adduct (RbCl)3 ・ Te(OH)6 was prepared by dissolving RbCl and Te(OH)6 in the molar ratio of 3 : 1 in deionized water at r. t. and slow evaporation of the solvent in air. The crystal structure of the colorless crystals was determined with single-crystal X-ray diffraction (trigonal space group: R3̄c (no. 167), a = 14.4392(8), c = 10.4301(16) Å , Z = 6). In (RbCl)3 ・ Te(OH)6, the rubidium atom is surrounded by five chlorine and four oxygen atoms in form of an irregular tricapped trigonal prism. Each tellurium atom is octahedrally surrounded by six oxygen atoms. The Te(OH)6 octahedra and the RbCl5O4 polyhedra are linked to a dense three-dimensional network which is additionally strengthened by hydrogen bonds.

M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/zaac.201500050 ◽

2015 ◽

Vol 641 (6) ◽

pp. 1150-1155 ◽

Cited By ~ 1

Author(s):

Roberto Köferstein ◽

Christian Robl

Keyword(s):

Coordination Polymers ◽

Three Dimensional ◽

Anions And Cations

Komplexe mit aromatischen Carbonsäuren, IV. Ca2[C6H2(COO)4]·6H2O - Eine neue Schichtstruktur/ Complexes with Aromatic Carboxylic Acids, IV. Ca2[C6H2(COO)4]·6H2O - A Novel Layer Structure

10.1515/znb-1988-0813 ◽

1988 ◽

Vol 43 (8) ◽

pp. 993-997 ◽

Cited By ~ 18

Author(s):

Christian Robl

Keyword(s):

Hydrogen Bonds ◽

Single Crystals ◽

Silica Gel ◽

Layer Structure ◽

The Other ◽

Water Molecules ◽

Ring Plane ◽

Weakly Bound ◽

Carboxylate Groups ◽

AbstractSingle crystals of Ca2[C6H2(COO)4]·6H2O were grown in aqueous silica gel. Ca2+ has CN 6+2. The coordination polyhedron is formed by three water molecules and five oxygen atoms of carboxylate groups. Six oxygen atoms are closely bound (235,9-243,9 pm), the two remaining coordination partners are considerably more remote from Ca2+ (268,2 and 273,8 pm). COO- groups chelate Ca2+ in an asymmetric manner, but the C -O bond lengths do not differ markedly (125,2-126,3 pm). The connection of Ca2+ with [C6H2(COO)4]4- leads to rigid layers. Adjacent layers are interlinked by hydrogen bonds. Those oxygen atoms which are weakly bound to Ca2+ are favoured as proton acceptors in hydrogen bonds. The COO groups are tilted differently against the C6-ring plane. One is approximately coplanar, but the other is oriented almost perpendicularly.

Synthesis and crystal structure of NaCuIn(PO4)2

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989020001929 ◽

2020 ◽

Vol 76 (3) ◽

pp. 366-369

Author(s):

Elhassan Benhsina ◽

Jamal Khmiyas ◽

Said Ouaatta ◽

Abderrazzak Assani ◽

Mohamed Saadi ◽

...

Keyword(s):

Crystal Structure ◽

Single Crystals ◽

Three Dimensional ◽

Atmospheric Conditions ◽

Synthesis And Crystal Structure ◽

Space Group ◽

Sodium Cations ◽

Single crystals of sodium copper(II) indium bis[phosphate(V)], NaCuIn(PO4)2, were grown from the melt under atmospheric conditions. The title phosphate crystallizes in the space group P21/n and is isotypic with KCuFe(PO4)2. In the crystal, two [CuO5] trigonal bipyramids share an edge to form a dimer [Cu2O8] that is connected to two PO4 tetrahedra. The obtained [Cu2P2O12] units are interconnected through vertices to form sheets that are sandwiched between undulating layers resulting from the junction of PO4 tetrahedra and [InO6] octahedra. The two types of layers are alternately stacked along [101] and are joined into a three-dimensional framework through vertex- and edge-sharing, leaving channels parallel to the stacking direction. The channels host the sodium cations that are surrounded by four oxygen atoms in form of a distorted disphenoid.

CsPr2(CH3COO)7, ein caesiumarmes wasserfreies ternäres Caesium-Praseodym-Acetat / CsPr2(CH3COO)7, a Cesium Poor Anhydrous Ternary Cesium Praseodymium(III) Acetate

10.1515/znb-1993-0705 ◽

1993 ◽

Vol 48 (7) ◽

pp. 886-892 ◽

Cited By ~ 5

Author(s):

Adalbert Lossin ◽

Gerd Meyer

Keyword(s):

Crystal Structure ◽

Acetic Acid ◽

Acid Solution ◽

Single Crystals ◽

Acetic Acid Solution ◽

Three Dimensional ◽

Molar Ratio ◽

Triclinic System ◽

Dimensional Network ◽

Single crystals of CsPr2(CH3COO)7 were obtained from an acetic acid solution of Pr(CH3COO)3 • H2O and Cs2CO3 in a molar ratio of 4:1 at 120°C. It crystallizes in the triclinic system, PĪ (no. 2), Z = 2, a = 1028.1(5), b = 1034.6(5), c = 1199.4(6) pm, α = 84.82(2), β = 67.07(3), γ = 76.01(2)°, Vm = 343.3(3) cm3/mol, R = 0.031, Rw = 0.027. The crystal structure contains infinite chains, 1∞[Pr2(CH3COO)6], running along the [110] direction. The chains are built up by bridging acetate ions coordinated to two crystallographically different Pr3+ ions which are both surrounded by 9 oxygen ligands. These chains are linked by “intercalated” Cs(CH3COO) to layers parallel (100). Cs+ has contacts to oxygen atoms of neighbouring layers, such that a three-dimensional network is formed.