scholarly journals Crystal structure of 4,4′-bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate

2014 ◽  
Vol 70 (9) ◽  
pp. o989-o990
Author(s):  
Sabri Çevik ◽  
Musa Sarı ◽  
Murat Sarı ◽  
Tuncay Tunç
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Organic Salt ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Centroid Distance ◽  
Anions And Cations

The title hydrated molecular organic salt, C10H10N22+·C10H6O6S22−·2H2O, crystallized with half a bipyridinium cation, half a naphthalene-2,6-disulfonate anion and a water molecule in the asymmetric unit. The whole cation and anion are generated by inversion symmetry, the inversion centers being at the center of the bridging C—C bond of the cation, and at the center of the fused C—C bond of the naphthalene group of the anion. In the crystal, the anions and cations stack alternately along theaaxis with π–π interactions [inter-centroid distance = 3.491 (1) Å]. The anions are linkedviaO—H...O(sulfonate) hydrogen bonds involving two inversion-related water molecules, forming chains along [10-1]. These chains are bridged by bifurcated N—H...(O,O) hydrogen bonds, forming a three-dimensional framework structure. There are also C—H...O hydrogen bonds present, reinforcing the framework structure.

scholarly journals Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole

2014 ◽  
Vol 70 (10) ◽  
pp. 224-227 ◽  
Author(s):  
Siddappa Patil ◽  
Alejandro Bugarin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The title compound, C11H12N6O2, a π-conjugated triazene, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have anEconformation about the –N=N– bond and have slightly twisted overall conformations. In moleculeA, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in moleculeBthe two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent molecules are linked to each other by C—H...O hydrogen bonds, forming –A–A–A– and –B–B–B–chains along [100]. The chains are linked by C—H...O and C—H...N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C—H...N hydrogen bonds and π–π interactions [centroid–centroid distance = 3.5243 (5) Å; involving the imidazole ring of molecule A and the benzene ring of moleculeB], forming a three-dimensional framework structure.

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-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data

2021 ◽  
Vol 77 (2) ◽  
pp. 213-216
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network

The crystal structure of the hydrated title salt, C22H48N4 4+·4Cl−·4H2O (C22H48N4 = H4 L = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane), 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 comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-D conformation. 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 chloride anions as acceptors, giving rise to a three-dimensional network.

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.

scholarly journals Crystal structure of poly[diaquabis(μ5-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]

2017 ◽  
Vol 73 (11) ◽  
pp. 1599-1602 ◽  
Author(s):  
Matimon Sangsawang ◽  
Kittipong Chainok ◽  
Nanthawat Wannarit
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Carboxylate Groups ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Coordinate Geometry

The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2]nor [CdNa2(1,3-bdc)2(DMF)(H2O)2]n, is a new CdII–NaIheterobimetallic coordination polymer. The asymmetric unit consists of one CdIIatom, two NaIatoms, two 1,3-bdc ligands, two coordinated water molecules and one coordinated DMF molecule. The CdIIatom exhibits a seven-coordinate geometry, while the NaIatoms can be considered to be pentacoordinate. The metal ions and their symmetry-related equivalents are connectedviachelating–bridging carboxylate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O—H...O hydrogen bonds involving the coordinated water molecules and the 1,3-bdc carboxylate groups and π–π stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

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.

Poly[diaquadi-μ6-succinato-μ5-succinato-dierbium(III)]

2006 ◽  
Vol 62 (4) ◽  
pp. m738-m740 ◽  
Author(s):  
Gui-Ying Dong ◽  
Guang-Hua Cui ◽  
Jin Lin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Trigonal Prismatic Coordination ◽  
Coordinated Water ◽  
Trigonal Prismatic

In the title compound, [Er2(C4H4O4)3(H2O)2] n , the asymmetric unit consists of two ErIII cations, three succinate anions and two coordinated water molecules. Both ErIII ions are in a tricapped trigonal–prismatic coordination environment. The Er atoms are bridged into a three-dimensional framework by succinate anions, which exhibit anti and gauche conformations with different coordination modes. The crystal structure is stabilized by O—H...O hydrogen bonds [O...O = 2.715 (8)–2.936 (8) Å].

scholarly journals Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure

2014 ◽  
Vol 70 (11) ◽  
pp. 385-388 ◽  
Author(s):  
Ana María Atria ◽  
Maria Teresa Garland ◽  
Ricardo Baggio
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Compound C ◽  
Acidic Proton ◽  
Centroid Distance ◽  
Benzene Rings

The asymmetric unit of the title compound, C8H9NO2·H2O consists of an isolated 4-(ammoniomethyl)benzoate zwitterion derived from 4-aminomethylbenzoic acid through the migration of the acidic proton, together with a water molecule of crystallization that is disordered over three sites with occupancy ratios (0.50:0.35:0.15). In the crystal structure, N—H...O hydrogen bonds together with π–π stacking of the benzene rings [centroid–centroid distance = 3.8602 (18) Å] result in a strongly linked, compact three-dimensional structure.

scholarly journals Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]

2016 ◽  
Vol 72 (5) ◽  
pp. 616-619
Author(s):  
S. Vetrivel ◽  
E. Vinoth ◽  
R. U. Mullai ◽  
R. Aruljothi ◽  
M. NizamMohideen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Piperazine Ring ◽  
Dimensional Network

The asymmetric unit of the organic–inorganic title salt, (C10H28N4)[Cr2O7]2, comprises one half of an 1,4-bis(3-ammoniopropyl)piperazinediium cation (the other half being generated by the application of inversion symmetry) and a dichromate anion. The piperazine ring of the cation adopts a chair conformation, and the two CrO4tetrahedra of the anion are in an almost eclipsed conformation. In the crystal, the cations and anions form a layered arrangement parallel to (001). N—H...O hydrogen bonds between the cations and anions and additional C—H...O interactions lead to the formation of a three-dimensional network structure.

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