Hydrogen-bonded three-dimensional network of a lanthanum(III) exocyclic complex with 5,10,15,20-tetra-4-pyridylporphyrin

2009 ◽  
Vol 65 (10) ◽  
pp. m371-m373 ◽  
Author(s):  
Sophia Lipstman ◽  
Israel Goldberg
Keyword(s):  
Three Dimensional ◽  
Dimensional Network ◽  
Hydrogen Bonded

3,6-Dioxaoctane-1,8-diammonium oxalate

2006 ◽  
Vol 62 (4) ◽  
pp. o1524-o1525 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Oxalate Ions ◽  
Hydrogen Bonded

The title compound, C6H18N2O2 2+·C2O4 2−, crystallizes with one half-cation and one half-anion in the asymmetric unit. It contains cyclic N—H...O hydrogen-bonded rings involving 3,6-dioxaoctane-1,8-diammonium and oxalate ions, forming a three-dimensional network.

scholarly journals Triaqua-1κO,2κ2 O-bis(2,2′-bipyridine)-1κ2 N,N′;2κ2 N,N′-chlorido-1κCl-μ-terephthalato-1:2κ2 O 1:O 4-dicopper(II) nitrate monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m746-m747
Author(s):  
Yang Liu ◽  
Yong-Lan Feng ◽  
Dai-Zhi Kuang
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Apical Position ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Chloride Ligand ◽  
Hydrogen Bonded

In the binuclear title compound, [Cu2(C8H4O4)Cl(C10H8N2)2(H2O)3]NO3·H2O, the two crystallographically independent CuII ions have similar coordination environments. One of the CuII ions has a square-pyramidal arrangement, which is defined by a water molecule occupying the apical position, with the equatorial ligators consisting of two N atoms from a 2,2′-bipyridine molecule, one carboxylate O atom from a terephthalate ligand and one O atom from a water molecule. The other CuII ion has a similar coordination environment, except that the apical position is occupied by a chloride ligand instead of a water molecule. An O—H...O and O—H...Cl hydrogen-bonded three-dimensional network is formed between the components.

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.

Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database

2000 ◽  
Vol 56 (5) ◽  
pp. 857-871 ◽  
Author(s):  
W. D. Samuel Motherwell ◽  
Gregory P. Shields ◽  
Frank H. Allen
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Cambridge Structural Database ◽  
Dimensional Network ◽  
Hydrogen Bond Networks ◽  
Structural Database ◽  
Graph Set ◽  
Graph Set Analysis ◽  
Packing Analysis ◽  
Hydrogen Bonded

The hydrogen-bond networks and crystal packing of 81 unique secondary di- and polyamides in the Cambridge Structural Database are investigated. Graph-set analysis, as implemented in the RPluto program, is used to classify network motifs. These have been rationalized in terms of the relative dispositions of the amide groups. Peptide and retropeptides exhibit significant conformational flexibility, which permits alternative hydrogen-bonding patterns. In peptides, dihedral angles of −ψ ≃ φ ≃ 105° allow an antiparallel ladder arrangement, containing rings of either the same or alternating sizes. For retropeptides, and diamides with an odd number of CH2 spacers, this conformation leads to a parallel ladder with rings of equal size. If φ approaches −60° and ψ 180°, ladders adopt a helical twist, and if the conformation is distorted further, a three-dimensional network is usually adopted. Diamides with aromatic or an even number of CH2 spacers generally form either antiparallel ladders or sheets, although some exhibit both polymorphs. Symmetry relationships within and between hydrogen-bonded chains, ladders and sheets in the crystal packing have also been analysed. Polyamides form considerably more complex networks, although many of the structural motifs present in the diamides occur as components of these networks.

Frovatriptan salts of aliphatic carboxylic acids

2013 ◽  
Vol 69 (4) ◽  
pp. 428-435 ◽  
Author(s):  
Krishnan Ravikumar ◽  
Balasubramanian Sridhar ◽  
Jagadeesh Babu Nanubolu ◽  
Venkatasubramanian Hariharakrishnan ◽  
Bandi Venugopal Rao
Keyword(s):  
Noncovalent Interactions ◽  
Three Dimensional ◽  
Water Molecules ◽  
Acetate Anion ◽  
Interaction Patterns ◽  
Drug Molecule ◽  
Pharmaceutical Agent ◽  
Dimensional Network ◽  
Aliphatic Carboxylic Acids ◽  
Hydrogen Bonded

The interaction of the antimigraine pharmaceutical agent frovatriptan with acetic acid and succinic acid yields the salts (±)-6-carbamoyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-aminium acetate, C14H18N3O+·C2H3O2−, (I), (R)-(+)-6-carbamoyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-aminium 3-carboxypropanoate monohydrate, C14H18N3O+·C4H5O4−·H2O, (II), and bis[(R)-(+)-6-carbamoyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-aminium] succinate trihydrate, 2C14H18N3O+·C4H4O42−·3H2O, (III). The methylazaniumyl substitutent is oriented differently in all three structures. Additionally, the amide group in (I) is in a different orientation. All the salts form three-dimensional hydrogen-bonded structures. In (I), the cations form head-to-head hydrogen-bonded amide–amide catemers through N—H...O interactions, while in (II) and (III) the cations form head-to-head amide–amide dimers. The cation catemers in (I) are extended into a three-dimensional network through further interactions with acetate anion acceptors. The presence of succinate anions and water molecules in (II) and (III) primarily governs the three-dimensional network through water-bridged cation–anion associationsviaO—H...O and N—H...O hydrogen bonds. The structures reported here shed some light on the possible mode of noncovalent interactions in the aggregation and interaction patterns of drug molecule adducts.

Tetragonal polymorph of the 1:1 adduct of sulfathiazole with pyridine

2006 ◽  
Vol 62 (7) ◽  
pp. o2669-o2671 ◽  
Author(s):  
Tatiana N. Drebushchak ◽  
Mikhail A. Mikhailenko ◽  
Elena V. Boldyreva ◽  
Tatyana P. Shakhtshneider
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Ambient Conditions ◽  
Acta Cryst ◽  
Pyridine Solution ◽  
Dimensional Network ◽  
Hydrogen Bonded

The title tetragonal polymorph is one of the two sulfathiazole–pyridine adducts, C9H9N3O2S2·C5H5N, that can be formed either by crystallization from an n-propanol–pyridine solution, or by exposure of solid sulfathiazole to pyridine vapour. The asymmetric unit consists of a hydrogen-bonded sulfathiazole–pyridine pair. Hydrogen bonds of the form Naniline—H...Osulfonyl form a three-dimensional network. Pyridine molecules linked to sulfathiazole molecules by Namino—H...Npyridine hydrogen bonds are located in the channels of the sulfathiazole framework which extend along the 41 axis. The angle between neighbouring pyridine rings in the channels is 55.2 (3)°. The adduct is stable in pyridine vapour, but decomposes in air under ambient conditions, giving the metastable polymorph I of sulfathiazole [Kruger & Gafner (1972). Acta Cryst. B28, 272–283].

scholarly journals Synthesis, X-Ray Structure, and Characterization of a Complex Containing the Hexakis(urea)cobalt(II) Cation and Lattice Urea Molecules

2007 ◽  
Vol 2007 ◽  
pp. 1-7 ◽  
Author(s):  
Labrini Drakopoulou ◽  
Constantina Papatriantafyllopoulou ◽  
Aris Terzis ◽  
Spyros P. Perlepes ◽  
Evy Manessi-Zoupa ◽  
...  
Keyword(s):  
Room Temperature ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
Two Dimensional ◽  
X Ray ◽  
Lattice Constants ◽  
Dimensional Network ◽  
Different Types ◽  
Hydrogen Bonded

The 12: 1 reaction of urea (U) with CoI2in EtOH yielded the “clathrate-coordination” compound[CoU6]I2·4U (1). The complex crystallizes in the monoclinic space group P21/c. The lattice constants area= 9.844(4),b= 7.268(3),c= 24.12(1) Å, andβ=98.12(1)∘. The crystal structure determination demonstrates the existence of octahedral[CoU6]2+cations,I-counterions, and two different types (twoU1and twoU2) of hydrogen-bonded, lattice urea molecules. The[CoU6]2+cations and theU1lattice molecules form two-dimensional hydrogen-bonded layers which are parallel to theabplane. TheI-anions are placed above and below each layer, and are hydrogen bonded both toU1molecules and[CoU6]2+cations. EachU2molecule is connected to a[CoU6]2+cation through anN–H⋯Ohydrogen bond resulting in a three-dimensional network. Room temperature magnetic susceptibility and spectroscopic (solid-state UV/Vis, IR, Raman) data of1are discussed in terms of the nature of bonding and the known structure.

Niedere Hydrate von Aminen. Kristallstrukturen der Hemihydrate von Ethyl- und Diethylamin sowie des Hemi- und Monohydrats von 1-Butylamin [1] / Lower Hydrates of Amines. Crystal Structures of the Hemihydrates of Ethyl- and Diethylamine and the Hemi- and Monohydrate of 1-Butylamine

1994 ◽  
Vol 49 (2) ◽  
pp. 243-249 ◽  
Author(s):  
Dietrich Mootz ◽  
Michael Born
Keyword(s):  
Crystal Structures ◽  
Three Dimensional ◽  
Structure Type ◽  
Membered Ring ◽  
Two Dimensional ◽  
Partial Structure ◽  
Dimensional Network ◽  
Analogous Composition ◽  
First Time ◽  
Hydrogen Bonded

The melting diagrams of three systems alkylamine- water have been reexamined and the crystal structures of four lower hydrates determined for the first time. The hydrate EtNH2 · 0.5 H2O , m.p. -72 °C, is triclinic with space group P1̄ and Z = 4 formula units per unit cell of dimensions a = 5.104, b = 8.137, c = 9.394 Å, α = 100.41, β = 98.41 and γ = 97.96° at -150°C. The O and N atoms are hydrogen-bonded into a two-dimensional array 2∞[ON6/3] analogous to the layer of the Cdl2 structure type. The hydrate Et2NH · 0.5 H2O , m.p. -20 °C, is monoclinic with 12/a, Z = 8 ,a - 8.324, b = 15.090, c = 10.006 Å and β - 103.34° at -100 °C. The O and N atoms are linked into a four-membered ring spiro chain 1∞[ON4/2] analogous to that in SiS2. The hydrate l-BuNH2 · 0.5H2O (m.p. -57 °C, monoclinic, P 21/c, Z = 8,a = 14.994, b = 5.086, c = 16.15 Å,β - 103.45° at -81 °C) contains essentially the same hydrogen-bonded array as the hydrate EtNH2-0.5 H2O (see above). l-BuNH2-H2O , the only monohydrate investigated besides the three hemihydrates (m.p. -60 °C, monoclinic, C 2/m, Z = 4, a = 9.68, b = 4.238, c = 15.58 Å, β = 94.9° at -81 °C), has also a two-dimensional H2O/NH2 partial structure, similar to a subset of the three-dimensional network of the adduct NH3 H2O of analogous composition.

Aripiprazole salts. III. Bis(aripiprazolium) oxalate–oxalic acid (1/1)

2013 ◽  
Vol 69 (2) ◽  
pp. 186-190 ◽  
Author(s):  
Eleonora Freire ◽  
Griselda Polla ◽  
Ricardo Baggio
Keyword(s):  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Intermolecular Interaction ◽  
Three Dimensional ◽  
Acid Molecule ◽  
Asymmetric Unit ◽  
Space Group ◽  
Dimensional Network ◽  
Centrosymmetric Dimers ◽  
Hydrogen Bonded

The asymmetric unit of the title salt [systematic name: bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl}piperazin-1-ium) oxalate–oxalic acid (1/1)], 2C23H28Cl2N3O2+·C2O42−·C2H2O4, consists of one protonated aripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip+cations is also similar to those in reported Arip compounds crystallizing in the space groupP\overline{1}, with head-to-head N—H...O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (01\overline{2}). The oxalate anions and oxalic acid molecules form hydrogen-bonded chains running along [010], which `pierce' the planar ribbons, interacting with them through a number of stronger N—H...O and weaker C—H...O hydrogen bonds, forming a three-dimensional network.

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