scholarly journals Synthesis, Structure, and Photomagnetic Properties of a Hydrogen-Bonded Lattice of [Fe(bpp)2]2+ Spin-Crossover Complexes and Nicotinate Anions

Crystals ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 439 ◽  
Author(s):  
Verónica Jornet-Mollá ◽  
Carlos Giménez-Saiz ◽  
Francisco Romero
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
High Spin ◽  
Spin Crossover ◽  
Phase 1 ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Spin Crossover Complexes ◽  
Hydrogen Bonded

In this paper, we report on the synthesis, crystal structure, and photomagnetic properties of the spin-crossover salt of formula [Fe(bpp)2](C6H4NO2)2·4H2O (1·4H2O) (bpp = 2,6-bis(pyrazol-3-yl)pyridine; C6H4NO2− = nicotinate anion). This compound exhibits a 3D supramolecular architecture built from hydrogen bonds between iron(II) complexes, nicotinate anions, and water molecules. As synthesized, the hydrated material is low-spin and desolvation triggers a low-spin (LS) to high-spin (HS) transformation. Anhydrous phase 1 undergoes a partial spin crossover (T1/2= 281 K) and a LS to HS photomagnetic conversion with a T(LIESST) value of 56 K.

scholarly journals Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ4N]iron(III) diaqua(18-crown-6)potassium bis(trifluoromethanesulfonate)–18-crown-6 (1/2)

2015 ◽  
Vol 71 (12) ◽  
pp. m215-m216
Author(s):  
Leila Ben Haj Hassen ◽  
Zouhour Denden ◽  
Yoann Rousselin ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
High Spin ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
One Dimensional ◽  
Phenyl Rings

In the title compound, [FeIII(C48H36N4O2)(H2O)2][K(C12H24O6)(H2O)2](SO3CF3)2·2C12H24O6, the FeIIIatom is situated on an inversion centre and is octahedrally coordinated by four pyrrole N atoms of the deprotenated 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinate ligand and two water molecules. The average equatorial Fe—N(pyrrole) bond length [2.043 (6) Å] is consistent with a high-spin (S= 5/2) iron(III) metalloporphyrin derivative. The K+cation, which also lies on an inversion centre, is chelated by the six O atoms of one 18-crown-6 molecule and is additionally coordinated by two water molecules in a distorted hexagonal–bipyramidal geometry. In the crystal, the cations, anions and one non-coordinating 18-crown-6 molecule are linked by classical O—H...O hydrogen bonds and non-conventional C—H...O hydrogen bonds, leading to a one-dimensional supramolecular architecture along [10-1]. The crystal packing is further stabilized by weak C—H...π interactions involving pyrrole and phenyl rings of the porphyrins, as well as weak C—H...F contacts involving the (SO3CF3)−counter-ion and the 18-crown-6 molecules.

scholarly journals Crystal structure of bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate

2016 ◽  
Vol 72 (3) ◽  
pp. 273-275 ◽  
Author(s):  
Gorgui Awa Seck ◽  
Aboubacary Sene ◽  
Libasse Diop ◽  
Thierry Maris
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Hydrogen Bonded

The crystal structure of the hydrated title salt, 2C6H13N2+·S2O32−·2H2O, contains a centrosymmetric cyclic motif of eight hydrogen-bonded molecular subunits. Two DABCOH+cations (DABCO = 1,4-diazabicyclo[2.2.2]octane) are linked to two water molecules and two thiosulfate anionsviaO—H...N and O—H...O hydrogen bonds, respectively. Two other water molecules close the cyclic motif through O—H...O contacts to the first two water molecules and to the two thiosulfate anions. A second pair of DABCOH+cations is N—H...O hydrogen bonded to the two anions and is pendant to the ring. Adjacent cyclic motifs are bridged into a block-like arrangement extending along [100] through O—H...O interactions involving the second pair of water molecules and neighbouring thiosulfate anions.

Bis{4-[(4-pyridyl)ethenyl]pyridinium} 4-sulfonatobenzoate trihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1529-o1531 ◽  
Author(s):  
Li-Ping Zhang ◽  
Long-Guan Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
One Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Hydrogen Bonded

In the crystal structure of the title organic proton-transfer complex, 2C12H11N2 +·C7H4O5S2−·3H2O, the cations form one-dimensional chains via intermolecular N—H...N hydrogen bonds and these chains, in turn, form a two-dimensional network through π–π stacking interactions. In addition, the anions and water molecules are connected into a two-dimensional hydrogen-bonded network through intermolecular O—H...O hydrogen bonds. The two motifs result in sheets of cations and anions stacked alternately.

scholarly journals Crystal structure ofcatena-poly[[[triaqua(4-cyanobenzoato-κO)nickel(II)]-μ-4,4′-bipyridine-κ2N:N′] 4-cyanobenzoate]

2015 ◽  
Vol 71 (11) ◽  
pp. m197-m198 ◽  
Author(s):  
Alfredo A. Morales-Tapia ◽  
Raúl Colorado-Peralta ◽  
Angélica M. Duarte-Hernández ◽  
Angelina Flores-Parra ◽  
José María Rivera
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Complex Salt ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Polymeric Complex ◽  
Polymeric Chains

In the title polymeric complex salt, {[Ni(C8H4NO2)(C10H8N2)(H2O)3](C8H4NO2)}n, the NiIIcation is coordinated by a 4-cyanobenzoate anion, two 4,4′-bipyridine ligands and three water molecules in a distorted N2O4octahedral geometry. The 4,4′-bipyridine ligands bridge the NiIIcations to form polymeric chains of the title complex cations, propagating along thec-axis direction. The dihedral angle between the pyridine rings of the 4,4′-bipyridine ligand is 24.9 (6)°. In the crystal, the uncoordinating 4-cyanobenzoate anions link with the complex cationsviaO—H...O hydrogen bonds into a three-dimensional supramolecular architecture. Weak C—H...O, C—H...N interactions and π–π stacking [centroid-to-centroid distances = 3.566 (4) and 3.885 (4) Å] are also observed in the crystal.

Diaquabis(1,10-phenanthroline-κ2 N,N′)manganese(II) thiodiglycolate bis(1,10-phenanthroline-κ2 N,N′)(thiodiglycolato-κ2 O,O′)manganese(II) tridecahydrate

2003 ◽  
Vol 59 (11) ◽  
pp. m429-m431 ◽  
Author(s):  
Jaromír Marek ◽  
Zdeněk Trávníček ◽  
Pavel Kopel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Bidentate Ligand ◽  
Membered Ring ◽  
Water Molecules ◽  
Thiodiglycolic Acid ◽  
Network Of Hydrogen Bonds ◽  
Hydrogen Bonded

The title compound, [Mn(C12H8N2)2(H2O)2](C4H4O4S)·[Mn(C4H4O4S)(C12H8N2)2]·13H2O, contains one dianion of thiodiglycolic acid (tdga2−) and two independent manganese(II) moieties, viz. [Mn(phen)2(H2O)2]2+ and [Mn(tdga)(phen)2], where phen is 1,10-phenanthroline. The MnII atoms are octahedrally coordinated by four N atoms of two bidentate phen ligands [Mn—N = 2.240 (2)–2.3222 (19) Å] and either two water O atoms or two tdga carboxyl O atoms [Mn—O = 2.1214 (17)–2.1512 (17) Å]. The tdga ligand chelates as an O,O′-bidentate ligand, forming an eight-membered ring with one Mn atom. The free tdga2− dianion is hydrogen bonded to an [Mn(phen)2(H2O)2]2+ ion, with O...O distances of 2.606 (2) and 2.649 (2) Å. The crystal structure is further stabilized by an extensive network of hydrogen bonds involving 13 water molecules.

scholarly journals Crystal structure ofcatena-poly[[diaquacadmium(II)]-μ-3,3′-(1,3-phenylene)diacrylato]

2015 ◽  
Vol 71 (4) ◽  
pp. m91-m92
Author(s):  
Xiao-Ping Zhang ◽  
Xin Chen ◽  
Kun-Lin Huang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Polymeric Complex ◽  
Distorted Octahedral

In the crystal of the title polymeric complex, [Cd(C12H8O4)(H2O)2]n, the CdIIcation, located on a twofold rotation axis, is coordinated by two water molecules and chelated by two phenylenediacrylate anions (mpda) in a distorted octahedral geometry. The mpda anions bridge the CdIIcations, forming helical chains propagating along thec-axis direction. The mpba anion has twofold symmetry with two benzene C atoms located on the twofold rotation axis. In the crystal, O—H...O hydrogen bonds link the polymeric helical chains into a three-dimensional supramolecular architecture.

The supramolecular architecture of tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]

2012 ◽  
Vol 68 (9) ◽  
pp. o351-o354 ◽  
Author(s):  
Magdalena Wilk ◽  
Jan Janczak ◽  
Veneta Videnova-Adrabinska
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Inversion Symmetry ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Multiple Hydrogen Bonds ◽  
Hydrogen Bonded

The asymmetric unit of the title compound, 3C10H12N22+·2C10H11N2+·8C6H5NO5P−, contains one and a half naphthalene-1,5-diaminium cations, in which the half-molecule has inversion symmetry, one 5-aminonaphthalen-1-aminium cation and four hydrogen (5-carboxypyridin-3-yl)phosphonate anions. The crystal structure is layered and consists of hydrogen-bonded anionic monolayers between which the cations are arranged. The acid monoanions are organized into one-dimensional chains along the [101] directionviahydrogen bonds established between the phosphonate sites. (C)O—H...Npyhydrogen bonds (py is pyridine) crosslink the chains to form an undulating (010) monolayer. The cations serve both to balance the charge of the anionic network and to connect neighbouring layersviamultiple hydrogen bonds to form a three-dimensional supramolecular architecture.

A novel crystal form of metacetamol: the first example of a hydrated form

2019 ◽  
Vol 75 (11) ◽  
pp. 1465-1470
Author(s):  
Viktoria M. Zemtsova ◽  
Alexey Yu. Fedorov ◽  
Elizaveta A. Fedorova ◽  
Callum Boa ◽  
Sergey G. Arkhipov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Form ◽  
Unit Cell ◽  
Water Molecules ◽  
Monoclinic Structure ◽  
Hydrated Form ◽  
Structure Space ◽  
Crystallization Conditions ◽  
Hydrogen Bonded

We report the crystal structure and crystallization conditions of a first hydrated form of metacetamol (a hemihydrate), C8H9NO2·0.5H2O. It crystallizes from metacetamol-saturated 1:1 (v/v) water–ethanol solutions in a monoclinic structure (space group P21/n) and contains eight metacetamol and four water molecules per unit cell. The conformations of the molecules are the same as in polymorph II of metacetamol, which ensures the formation of hydrogen-bonded dimers and R 2 2(16) ring motifs in its crystal structure similar to those in polymorph II. Unlike in form II, however, these dimers in the hemihydrate are connected through water molecules into infinite hydrogen-bonded molecular chains. Different chains are linked to each other by metacetamol–water and metacetamol–metacetamol hydrogen bonds, the latter type being also present in polymorph I. The overall noncovalent network of the hemihydrate is well developed and several types of hydrogen bonds are responsible for its formation.

scholarly journals Crystal structure of 4,4′,4′′-(1,3,5-triazine-2,4,6-triyl)tripyridinium trichloride 2.5-hydrate

2015 ◽  
Vol 71 (11) ◽  
pp. o858-o859
Author(s):  
Bo-Kai Ling ◽  
Xiao-Long Feng ◽  
Yang Li ◽  
Tian-Gang Luan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance

The asymmetric unit of the title compound, C18H15N63+·3Cl−·2.5H2O, contains two independent (1,3,5-triazine-2,4,6-triyl)tripyridinium cations. Both cations are approximately planar, the r.m.s. deviations of fitted non-H atoms being 0.045 and 0.051 Å. In the crystal, extensive O—H...Cl, O—H...O, N—H...Cl and N—H...O hydrogen bonds and weak C—H...Cl and C—H...O interactions link the organic cations, Cl−anions and water molecules into a three-dimensional supramolecular architecture. π–π stacking between the pyridine rings of adjacent cations is also observed, the centroid-to-centroid distance being 3.7578 (8) Å.

The effect of partial methylation of the glycine amino group on crystal structure inN,N-dimethylglycine and its hemihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o283-o287 ◽  
Author(s):  
Vasily S. Minkov ◽  
Elena V. Boldyreva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Partial Methylation ◽  
Space Groups ◽  
Carboxylate Groups ◽  
Anhydrous Compound ◽  
Additional Hydrogen

N,N-Dimethylglycine, C4H9NO2, and its hemihydrate, C4H9NO2·0.5H2O, are discussed in order to follow the effect of the methylation of the glycine amino group (and thus its ability to form several hydrogen bonds) on crystal structure, in particular on the possibility of the formation of hydrogen-bonded `head-to-tail' chains, which are typical for the crystal structures of amino acids and essential for considering amino acid crystals as mimics of peptide chains. Both compounds crystallize in centrosymmetric space groups (PbcaandC2/c, respectively) and have twoN,N-dimethylglycine zwitterions in the asymmetric unit. In the anhydrous compound, there are no head-to-tail chains but the zwitterions formR44(20) ring motifs, which are not bonded to each other by any hydrogen bonds. In contrast, in the crystal structure ofN,N-dimethylglycinium hemihydrate, the zwitterions are linked to each other by N—H...O hydrogen bonds into infiniteC22(10) head-to-tail chains, while the water molecules outside the chains provide additional hydrogen bonds to the carboxylate groups.

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