Alkylammonium lead halides. Part 1. Isolated PbI64− ions in (CH3NH3)4PbI6•2H2O

1987 ◽  
Vol 65 (5) ◽  
pp. 1042-1046 ◽  
Author(s):  
Beverly R. Vincent ◽  
Katherine N. Robertson ◽  
T. Stanley Cameron ◽  
Osvald Knop
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Bond Lengths ◽  
Type Lattice ◽  
Hydrogen Bonded

The yellow (CH3NH3)4PbI6•2H2O(P21/n, a = 10.421(3) Å, b = 11.334(2) Å, c = 10.668(2) Å, β = 91.73(2)°, Z = 2) contains isolated PbI64− octahedra, CH3NH3+ cations of two types and H2O molecules. The cations and the water molecules are hydrogen-bonded to form [Formula: see text] units arranged in centrosymmtric [Formula: see text] pairs; the centres of these composite units and the Pb atoms form a distorted NaCl-type lattice. The Pb—I bond lengths in the PbI64− anions are compared with those in [Pb(II)I6]ε complexes containing shared I atoms and the effect of the sharing on the bond lengths is discussed. A scheme is proposed for the extensive three-dimensional hydrogen bonding in the structure.

Erdalkaliquadratate, I BaC4O4 · 3H2O / Alkaline-earth Squarates, I BaC4O4 · 3H2O

1986 ◽  
Vol 41 (12) ◽  
pp. 1485-1489 ◽  
Author(s):  
Christian Robl ◽  
Armin Weiss
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Silica Gel ◽  
Alkaline Earth ◽  
Three Dimensional ◽  
Water Molecules ◽  
Bond Lengths ◽  
Resonance Stabilization ◽  
Aqueous Silica

Abstract BaC4O4-3H2O was prepared by crystallization in aqueous silica gel. The crystal structure is a complicated three-dimensional framework. Ba2+ has CN 8+1. It is surrounded by 5 water molecules and 4 Osquarate atoms (Ba-O distances from 271.1 to 324.2 pm). The squarate dianion is almost planar and shows C -C and C-O bond lengths indicating the existence of resonance stabilization, although one Osquarate atom is not connected to Ba2+ at all. Short water-Osquarate distances hint to strong hydrogen bonding which obviously plays an important part in this structure.

Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water

2000 ◽  
Vol 56 (1) ◽  
pp. 142-154 ◽  
Author(s):  
Feng Xue ◽  
Thomas C. W. Mak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Directed Assembly ◽  
Water Molecules ◽  
Triclinic Space Group ◽  
Dimensional Network ◽  
Graph Set ◽  
Host Lattices ◽  
Hydrogen Bonded

New crystalline adducts of tetraalkylammonium terephthalate/trimesate with urea and water molecules result from hydrogen-bond directed assembly of complementary acceptors and donors, and the anionic host lattices are described using the graph-set notation to identify distinct hydrogen-bonding motifs and patterns. Tetra-n-butylammonium terephthalate–urea–water (1/6/2), C46H104N14O12 (1), triclinic, space group P1¯, a = 8.390 (2), b = 9.894 (2), c = 18.908 (3) Å, α = 105.06 (2), β = 94.91 (1), γ = 93.82 (2)°, Z = 1, is composed of hydrogen-bonded terephthalate–urea layers, which are intersected by urea layers to generate a three-dimensional network containing large channels for accommodation of the cations. Tetraethylammonium terephthalate–urea–water (1/1/5), C25H58N4O10 (2), triclinic, P1¯, a = 9.432 (1), b = 12.601 (1), c = 14.804 (1) Å, α = 79.98 (1), β = 79.20 (1), γ = 84.18 (1)°, Z = 2, has cations sandwiched between hydrogen-bonded anionic layers. Tetraethylammonium trimesate–urea–water (1/2/7.5), C35H86N7O15.5 (3), triclinic, P1¯, a = 13.250 (1), b = 14.034 (1), c = 15.260 (1) Å, α = 72.46 (1), β = 78.32 (1), γ = 66.95 (1)°, Z = 2, manifests a layer-type structure analogous to that of (2). Tetra-n-propylammonium hydrogen trimesate–urea–water (1/2/5), C35H78N6O13 (4), orthorhombic, Pna21, a = 16.467 (3), b = 33.109 (6), c = 8.344 (1) Å, Z = 4, features hydrogen trimesate helices in a three-dimensional host architecture containing nanoscale channels each filled by a double column of cations.

scholarly journals Crystal structure ofcis-aquachloridobis(1,10-phenanthroline-κ2N,N′)chromium(III) tetrachloridozincate monohydrate from synchrotron data

2015 ◽  
Vol 71 (3) ◽  
pp. 288-290 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bond Lengths ◽  
Hydrogen Bonding Pattern ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Cl Atom ◽  
Distorted Octahedral Coordination Environment

The structure of the title compound, [CrCl(C12H8N2)2(H2O)][ZnCl4]·H2O, has been determined from synchrotron data. The CrIIIion is bonded to four N atoms from two 1,10-phenanthroline (phen) ligands, one water molecule and a Cl atom in acisarrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(phen) bond lengths are in the range of 2.0495 (18) to 2.0831 (18) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2734 (7) and 1.9986 (17) Å, respectively. The tetrahedral [ZnCl4]2−anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with coordinating and non-coordinating water molecules. The two types of water molecules also interact through O—H...O hydrogen bonds. The observed hydrogen-bonding pattern leads to the formation of a three-dimensional network structure.

scholarly journals Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals

2020 ◽  
Vol 76 (5) ◽  
pp. 742-746 ◽  
Author(s):  
Haruki Sugiyama
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Water Molecules ◽  
Space Group ◽  
One Dimensional ◽  
Salt Crystals ◽  
Bonding Patterns ◽  
Hydrogen Bonded

The crystal structures of two salt crystals of 2,2-bis(4-methylphenyl)hexafluoropropane (Bmphfp) with amines, namely, dipyridinium 4,4′-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate 4,4′-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoic acid, 2C5H6N+·C17H8F6O4 2−·C17H10F6O4, (1), and a monohydrated ethylenediammonium salt ethane-1,2-diaminium 4,4′-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate, C2H10N2 2+·C17H8F6O4 2−·H2O, (2), are reported. Compounds 1 and 2 crystallize, respectively, in space group P21/c with Z′ = 2 and in space group Pbca with Z′ = 1. The crystals of compound 1 contain neutral and anionic Bmphfp molecules, and form a one-dimensional hydrogen-bonded chain motif. The crystals of compound 2 contain anionic Bmphfp molecules, which form a complex three-dimensional hydrogen-bonded network with the ethylenediamine and water molecules.

scholarly journals Crystal structure oftrans-diammine(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) tetrachloridozincate chloride monohydrate from synchrotron data

2016 ◽  
Vol 72 (4) ◽  
pp. 456-459 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Complex Salt ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bond Lengths ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Set Up ◽  
Cl Atoms

The asymmetric unit of the title complex salt, [Cr(C10H24N4)(NH3)2][ZnCl4]Cl·H2O, is comprised of four halves of the CrIIIcomplex cations (the counterparts being generated by application of inversion symmetry), two tetrachloridozincate anions, two chloride anions and two water molecules. Each CrIIIion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetraazacyclotetradecane) ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam) bond lengths range from 2.0501 (15) to 2.0615 (15) Å, while the Cr—(NH3) bond lengths range from 2.0976 (13) to 2.1062 (13) Å. The macrocyclic cyclam moieties adopt thetrans-III conformation with six- and five-membered chelate rings in chair andgaucheconformations. The [ZnCl4]2−anions have a slightly distorted tetrahedral shape. In the crystal, the Cl−anions link the complex cations, as well as the solvent water molecules, through N—H...Cl and O—H...Cl hydrogen-bonding interactions. The supramolecular set-up also includes N—H...Cl, C—H...Cl, N—H...O and O—H...Cl hydrogen bonding between N—H or C—H groups of cyclam, ammine N—H and water O—H donor groups, and O atoms of the water molecules, Cl−anions or Cl atoms of the [ZnCl4]2−anions as acceptors, leading to a three-dimensional network structure.

Three-dimensional hydrogen-bonded assembly in 2,2′-disulfanylidene-5,5′-biimidazolidinylidene-4,4′-dione–dimethylformamide–water (3/2/4)

2013 ◽  
Vol 69 (12) ◽  
pp. 1545-1548 ◽  
Author(s):  
De-Hong Wu
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Graph Set ◽  
Ribbon Structures ◽  
Hydrogen Bonded

The title compound, 3C6H4N4O2S2·2C3H7NO·4H2O, comprises three 2,2′-disulfanylidene-5,5′-biimidazolidinylidene-4,4′-dione molecules, two dimethylformamide molecules and four water molecules arranged around a crystallographic inversion centre. The non-H atoms within the 5,5′-biimidazolidinylidene molecule are coplanar and these molecules aggregate through N—H...S hydrogen-bonding interactions with cyclic motifs [graph setR22(8)], giving two-dimensional ribbon structures which are close to being parallel. The two independent water molecules associate to form centrosymmetric cyclic hydrogen-bonded (H2O)4tetrameric units [graph setR44(8)]. The ribbon structures extend along theaaxis and are linked through the water tetramers and the dimethylformamide molecules by a combination of two- and three-centre hydrogen bonds, giving an overall three-dimensional structure.

Charge-assisted hydrogen bonding in three diaminobenzene salts

2018 ◽  
Vol 74 (12) ◽  
pp. 1725-1731 ◽  
Author(s):  
Patricia L. Zick ◽  
David K. Geiger
Keyword(s):  
Hydrogen Bonding ◽  
Density Functional ◽  
Rational Design ◽  
Three Dimensional ◽  
Water Molecules ◽  
Functional Theory ◽  
Space Group ◽  
Hydrogen Bonding Interactions ◽  
Significant Difference ◽  
Hydrogen Bonded

Hydrogen-bonding interactions play an important role in the rational design of crystal systems with desirable architectures. The crystal structures of benzene-1,2-diaminium sulfate sesquihydrate, C6H20N2 2+·SO4 2−·1.5H2O, (1), benzene-1,3-diaminium tetrachloridozincate(II), (C6H20N2)[ZnCl4], (3), and 3-aminoanilinium perchlorate, C6H9N2 +·ClO4 −, (4), are reported. Hydrated salt (1) is a polymorph (space group C2/c) of a previously reported [Anderson et al. (2011). Cryst. Growth Des. 11, 4904–4919] crystalline modification of salt (2) (space group P21/c). The contents of the asymmetric unit of (2) are twice that of (1). In each, the extended structures exhibit hydrogen bonds, resulting in chains of ions and hydrogen-bonded rings with an R 4 4(8) motif involving water molecules. Hirshfeld surface analysis shows that a significant difference between the two is the degree of C...C interaction. Salt (3) exhibits an extended structure having hydrogen-bonded rings and parallel benzene rings, with a centroid-to-centroid separation of 3.860 (2) Å. Salt (4) displays a three-dimensional superstructure that results from linked planes of ions joined by an extensive hydrogen-bonding network involving N—H...O, N—H...N and C—H...π interactions. The cation–anion and N—H...N interaction energies in (4), determined using density functional theory (DFT), show significantly stronger aminium–perchlorate than amine–perchlorate interactions.

Aminosulfonic acids. Part 1. Crystal structures of N-methylaminomethanesulfonic acid, MeNHCH2SO3H, and disodium N-methyliminobis(methanesulfonate) dihydrate, MeN(CH2SO3Na)2•2H2O

1984 ◽  
Vol 62 (3) ◽  
pp. 540-548 ◽  
Author(s):  
T. Stanley Cameron ◽  
Walter J. Chute ◽  
Osvald Knop
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Water Molecules ◽  
Amino Group ◽  
Orientational Disorder ◽  
Space Group ◽  
Bond Lengths ◽  
Hydrogen Bonded

The crystal structure of N-methylaminomethanesulfonic acid (P212121, a = 5.455(1) Å, b = 7.791(1) Å, c = 11.925(2) Å, Z = 4) consists of +MeNH2CH2SO3− zwitterions hydrogen-bonded to form infinite chains about screw axes parallel to a. In the structure of MeN(CH2SO3Na)2•2H2O (Pbcn, a = 10.469(1) Å, b = 6.039(3) Å, c = 17.549(3) Å, Z = 4), layers of MeN(CH2SO3−)2 anions alternate with layers of Na+ ions parallel to (001). The anions are linked by [Formula: see text] bonds between the water molecules and the O(2) atoms of the sulfonate groups. Because of the twofold orientational disorder of the N—CH3 groups the space group Pbcn is only statistical.The S—C, C—N, and S—O bond lengths in solid aminosulfonic acids and their salts are discussed with a view to detecting the existence of effects due to deprotonation of the amino group and to hydrogen bonding.

scholarly journals Ethylenediaminium pyridine-2,5-dicarboxylate dihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3124-o3126 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth ◽  
David J. Young ◽  
Peter C. Healy
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Rotational Symmetry ◽  
Three Dimensional ◽  
Water Molecules ◽  
Framework Structure ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Amine Groups ◽  
Hydrogen Bonded

The title compound, C2H10N2 2+·C7H3NO4 2−·2H2O, forms a three-dimensional hydrogen-bonded framework structure in which both of the amine groups of ethylenediamine are protonated and participate in a total of six hydrogen-bonding interactions with carboxylate O-atom acceptors of the anions as well as the water molecules. The cations lie on crystallographic inversion centres and adopt extended conformations, while the anions have twofold rotational symmetry. This results in the pyridine N atom and its ortho-related CH group being disordered over two 50% occupancy sites.

scholarly journals Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues

2013 ◽  
Vol 69 (10) ◽  
pp. 1192-1195
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Adipic Acid ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Solvent Water ◽  
Hydrated Proton ◽  
Hydrogen Bonded

The structures of the 1:1 hydrated proton-transfer compounds of isonipecotamide (piperidine-4-carboxamide) with oxalic acid, 4-carbamoylpiperidinium hydrogen oxalate dihydrate, C6H13N2O+·C2HO4−·2H2O, (I), and with adipic acid, bis(4-carbamoylpiperidinium) adipate dihydrate, 2C6H13N2O+·C6H8O42−·2H2O, (II), are three-dimensional hydrogen-bonded constructs involving several different types of enlarged water-bridged cyclic associations. In the structure of (I), the oxalate monoanions give head-to-tail carboxylic acid O—H...Ocarboxylhydrogen-bonding interactions, formingC(5) chain substructures which extend alonga. The isonipecotamide cations also give parallel chain substructures through amide N—H...O hydrogen bonds, the chains being linked acrossband downcby alternating water bridges involving both carboxyl and amide O-atom acceptors and amide and piperidinium N—H...Ocarboxylhydrogen bonds, generating cyclicR43(10) andR32(11) motifs. In the structure of (II), the asymmetric unit comprises a piperidinium cation, half an adipate dianion, which lies across a crystallographic inversion centre, and a solvent water molecule. In the crystal structure, the two inversion-related cations are interlinked through the two water molecules, which act as acceptors in dual amide N—H...Owaterhydrogen bonds, to give a cyclicR42(8) association which is conjoined with anR44(12) motif. Further N—H...Owater, water O—H...Oamideand piperidinium N—H...Ocarboxylhydrogen bonds give the overall three-dimensional structure. The structures reported here further demonstrate the utility of the isonipecotamide cation as a synthon for the generation of stable hydrogen-bonded structures. The presence of solvent water molecules in these structures is largely responsible for the non-occurrence of the common hydrogen-bonded amide–amide dimer, promoting instead various expanded cyclic hydrogen-bonding motifs.

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