scholarly journals Synthesis and crystal structure of catena-poly[[bis[(2,2′;6′,2′′-terpyridine)manganese(II)]-μ4-pentathiodiantimonato] tetrahydrate] showing a 1D MnSbS network

2020 ◽  
Vol 76 (1) ◽  
pp. 32-37 ◽  
Author(s):  
Felix Danker ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Synthesis And Crystal Structure ◽  
Solvent Water ◽  
Dimensional Network ◽  
Terpyridine Ligands ◽  
Using Data

The asymmetric unit of the title compound, {[Mn2Sb2S5(C15H11N3)2]·4H2O} n , consists of two crystallographically independent MnII ions, two unique terpyridine ligands, one [Sb2S5]4− anion and four solvent water molecules, all of which are located in general positions. The [Sb2S5]4− anion consists of two SbS3 units that share common corners. Each of the MnII ions is fivefold coordinated by two symmetry-related S atoms of [Sb2S5]4− anions and three N atoms of a terpyridine ligand within an irregular coordination. Each two anions are linked by two [Mn(terpyridine)]2+ cations into chains along the c-axis direction that consist of eight-membered Mn2Sb2S4 rings. These chains are further connected into a three-dimensional network by intermolecular O—H...O and O—H...S hydrogen bonds. The crystal investigated was twinned and therefore, a twin refinement using data in HKLF-5 [Sheldrick (2015). Acta Cryst. C71, 3–8] format was performed.

scholarly journals Crystal structure of triaqua(2,6-dimethylpyrazine-κN4)bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate

2015 ◽  
Vol 71 (12) ◽  
pp. m223-m224 ◽  
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Dimensional Network ◽  
Entire Complex ◽  
Solvent Molecules

In the crystal structure of the title complex, [Mn(NCS)2(C6H8N2)(H2O)3]·2C6H8N2, the MnIIcation is coordinated by two terminallyN-bonded thiocyanate anions, three water molecules and one 2,6-dimethylpyrazine ligand within a slightly distorted N3O3octahedral geometry; the entire complex molecule is generated by the application of a twofold rotation axis. The asymmetric unit also contains an uncoordinating 2,5-dimethylpyrazine ligand in a general position. Obviously, the coordination to the 2,6-dimethylpyrazine ligand is preferred because coordination to the 2,5-dimethylpyrazine is hindered due to the bulky methyl group proximate to the N atom. The discrete complexes are linked by water-O—H...N(2,6-dimethylpyzazine/2,5-dimethylpyzazine) hydrogen bonding, forming a three-dimensional network. In the crystal, molecules are arranged in a way that cavities are formed in which unspecified, disordered solvent molecules reside. These were modelled employing the SQUEEZE routine inPLATON[Spek (2015).Acta Cryst. C71, 9–18]. The composition of the unit cell does not take into account the presence of the unspecified solvent.

Reinvestigation of tricyclic acyclovir: characterization of a `proton-wire' model

2013 ◽  
Vol 69 (9) ◽  
pp. 1077-1080 ◽  
Author(s):  
Montha Meepripruk ◽  
Kenneth J. Haller
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Gramicidin A ◽  
Strong Hydrogen Bond ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Dimensional Network

The crystal structure of a dihydrate of the title compound, 3-[(2-hydroxyethoxy)methyl]-6-methyl-3H-imidazolo[1,2-a]-purin-9(5H)-one, C11H13N5O3·2H2O, has been reinvestigated. The asymmetric unit contains two molecules of tricyclic acyclovir and four molecules of water. The structure consists of a three-dimensional network of strong hydrogen bonds that integrates all of the components. While the crystal structure and the formation of an (H2O)8solvent water molecule cluster through a disordered strong hydrogen bond [O...O = 2.807 (3) Å] between two water molecules across an inversion centre has been described previously [Suwińska, Golankiewicz & Zielenkiewicz (2001).Acta Cryst.C57, 767–769], the disorder was incompletely modelled. In this work, the disorder model is extended and includes disorder of one tricyclic acyclovir hydroxy group across another inversion centre [O...O = 2.644 (4) Å]. The resulting infinite O—H...O hydrogen-bonded water–hydroxy chains, analogous to the `proton wires' found in the membrane protein gramicidin A, are discussed and an unusual disorder model involving infinite concerted chains of O—H...O hydrogen bonds is provided.

Bis[1,3-bis(1H-benzimidazol-2-yl)benzene-κN 3]bis(nitrato-κ2 O,O′)cadmium(II) dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2752-m2752 ◽  
Author(s):  
Fa-Yan Meng ◽  
Yi-Ming Zhang ◽  
Seik Weng Ng
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Solvent Water ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title complex, [Cd(NO3)2(C20H14N4)2]·2H2O, the CdII ion, which lies on a crystallographic twofold axis, is bis-chelated by two nitrate ligands and is coordinated by one tertiary N atom from each of two 1,3-bis(1H-benzimidazol-2-ylmethyl)benzene ligands in a distorted octahedral geometry. In the crystal structure, complex molecules and solvent water molecules are connected via hydrogen bonds to form a three-dimensional network.

scholarly journals Crystal structure of melaminium cyanoacetate monohydrate

2020 ◽  
Vol 76 (10) ◽  
pp. 1645-1648
Author(s):  
Bhawani Sigdel Regmi ◽  
Allen Apblett ◽  
Douglas Powell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, 2,4,6-triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate, C3H7N6 +·NCCH2COO−·H2O, consists of a melaminium cation, a cyanoacetate anion and a water molecule, which are connected to each other via N—H...O and O—H...O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N—H...N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N—H...O, O—H...O, N—H...N and C—H...O hydrogen bonds between the cations, anions and water molecules.

scholarly journals Synthesis and crystal structure of a new hybrid organic–inorganic material containing neutral molecules, cations and heptamolybdate anions

2019 ◽  
Vol 75 (7) ◽  
pp. 1001-1004 ◽  
Author(s):  
Bougar Sarr ◽  
Abdou Mbaye ◽  
Wally Diallo ◽  
Cheikh Abdoul Khadir Diop ◽  
Mamadou Sidibe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Acid Solution ◽  
Inorganic Material ◽  
Three Dimensional ◽  
Cluster Anion ◽  
Water Molecules ◽  
Ammonium Heptamolybdate ◽  
Synthesis And Crystal Structure ◽  
Dimensional Network

The title compound, hexakis(2-methyl-1H-imidazol-3-ium) heptamolybdate 2-methyl-1H-imidazole disolvate dihydrate, (C4H7N2)6[Mo7O24]·2C4H6N2·2H2O, was prepared from 2-methylimidazole and ammonium heptamolybdate tetrahydrate in acid solution. The [Mo7O24]6− heptamolybdate cluster anion is accompanied by six protonated (C4H7N2)+ 2-methylimidazolium cations, two neutral C4H6N2 2-methylimidazole molecules and two water molecules of crystallization. The cluster consists of seven distorted MoO6 octahedra sharing edges or vertices. In the crystal, the components are linked by N—H...N, N—H...O, O—H...O, N—H...(O,O) and O—H...(O,O) hydrogen bonds, generating a three-dimensional network. Weak C—H...O interactions consolidate the packing.

scholarly journals Bis(lysine-κ2 N,O)hexa-μ2-oxido-hexaoxidobis(1,10-phenanthroline-κ2 N,N′)dicopper(II)tetravanadium(V) tetrahydrate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Ana Karen Giron-Moreno ◽  
Nancy Lara-Sánchez ◽  
Gabriela Moreno-Martínez ◽  
Cándida Pastor-Ramírez ◽  
Eduardo Sánchez-Lara ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Formula Unit ◽  
Zwitterionic Form ◽  
Solvent Water ◽  
Dimensional Network ◽  
Intramolecular Hydrogen

The heterometallic coordination compound [Cu(Lys)(phen)]2V4O12·4H2O (Lys is the amino acid lysine, C6H14N2O2, and phen is 1,10-phenanthroline, C12H8N2) lies across an inversion centre. Two [Cu(Lys)(phen)]2+ units coordinate to the cyclo-vanadate fragment and the formula unit is completed by four solvent water molecules. The lysine ligand is in the zwitterionic form and chelates the CuII atom via the α-NH2 and α-COO− donor groups, while the ∊-NH3 + group is involved in intramolecular hydrogen bonds with the central [V4O12]4− core and with solvent water molecules. In the crystal, N—H...O and O—H...O hydrogen bonds connect the components of the structure to form a three-dimensional network. The crystal structure is further stabilized by π–π interactions involving the phen ligands. The lysine group is disordered over two sets of sites with refined occupancies of 0.534 (11) and 0.466 (11).

scholarly journals Crystal structure of bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-κ3N,N′,N′′}nickel(II) dichloride 3.5-hydrate

2014 ◽  
Vol 70 (9) ◽  
pp. m339-m340
Author(s):  
Benson M. Kariuki ◽  
Abdul-Razak H. Al-Sudani
Keyword(s):  
Crystal Structure ◽  
Metal Ion ◽  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Amine Ligands

In the title compound, [Ni(C13H17N3)2]Cl2·3.5H2O, the geometry of the NiN6complex cation is slightly distorted octahedral, with a facial arrangement of the two tridentateN-[2-(dimethylamino)ethyl]quinolin-8-amine ligands around the metal ion. The asymmetric unit consists of two independent complex half-molecules located on centres of inversion, together with two chloride counter-anions and 3.5 water molecules of solvation, one of which is disordered across an inversion centre. In the crystal, O—H...O, O—H...Cl and N—H...Cl hydrogen-bonding interactions form a three-dimensional network structure.

Bis[tris(2,2′-bipyridyl-κ2N,N′)cobalt(II)]cyclo-tetravanadate undecahydrate

2013 ◽  
Vol 69 (2) ◽  
pp. 138-141 ◽  
Author(s):  
Ke Zhang ◽  
Da-Dong Liang ◽  
Ming-Hui Wang ◽  
Yan Liu ◽  
Guo-You Luan
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Three Dimensional ◽  
Ring Structure ◽  
Membered Ring ◽  
Water Molecules ◽  
Solvent Water ◽  
Hydrogen Bond Interactions ◽  
Dimensional Network

The title compound, [Co(C10H8N2)3]2[V4O12]·11H2O, is composed of two symmetry-related cations containing octahedrally coordinated CoIIions, a centrosymmetric [V4O12]4−anion with an eight-membered ring structure made up of four VO4tetrahedra, and 11 solvent water molecules. The CoIIcations and vanadate anions are isolated and build cation and anion layers, respectively. In addition, the title compound exhibits a three-dimensional network through intra- and intermolecular hydrogen-bond interactions between water molecules and O atoms of the anions, and the crystal structure is stabilized mainly by hydrogen bonds.

scholarly journals Crystal structure of poly[diaqua(μ2-benzene-1,4-dicarboxylato-κ2O1:O4)(μ2-benzene-1,4-dicarboxylato-κ4O1,O1′:O4,O4′)bis(μ2-3,3′,5,5′-tetramethyl-4,4′-bipyrazole-κ2N:N′)dinickel(II)]

2015 ◽  
Vol 71 (6) ◽  
pp. m127-m128
Author(s):  
Chao Wu ◽  
Peng Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Packing ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the polymeric title compound, [Ni(C8H4O4)(C10H14N4)(H2O)]n, contains one Ni2+cation, one coordinating water molecule, one 3,3′,5,5′-tetramethyl-4,4′-bipyrazole ligand and half each of two benzene-1,4-dicarboxylate anions, the other halves being generated by inversion symmetry. The Ni2+cation exhibits an octahedral N2O4coordination sphere defined by the O atoms of the water molecule and two different anions and the N atoms of two symmetry-relatedN-heterocycles. TheN-heterocycles and both anions bridge adjacent Ni2+cations into a three-dimensional network structure, with one of the anions in a bis-bidentate and the other in a bis-monodentate bridging mode. N—H...O and O—H...O hydrogen bonds between the N-heterocycles and water molecules as donor groups and the carboxylate O atoms as acceptor groups consolidate the crystal packing.

scholarly journals Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data

2018 ◽  
Vol 74 (8) ◽  
pp. 1039-1041
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Synchrotron Radiation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network

The crystal structure of the title salt, C20H44N4 4+·4Cl−·4H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. There are two molecules in the unit cell. The Cl− anions and hydrate molecules are involved in hydrogen bonding. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors and the O atoms of the water molecules and the Cl− anions as acceptors, giving rise to a three-dimensional network.

Sign in / Sign up

Export Citation Format

Share Document