scholarly journals Isotypic MnIIand FeIIbinuclear complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid

2016 ◽  
Vol 72 (10) ◽  
pp. 1412-1416
Author(s):  
Monserrat Alfonso ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Metal Ion ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Π Interactions ◽  
Metal Atoms ◽  
Hydrogen Bonded

The title isotypic complexes, bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ4N1,O2,N6:O3;κ4O3:N1,O2,N6-bis[diaquamanganese(II)] tetrahydrate, [Mn2(C16H8N4O4)2(H2O)4]·4H2O, (I), and bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ4N1,O2,N6:O3;κ4O3:N1,O2,N6-bis[diaquairon(II)] tetrahydrate, [Fe2(C16H8N4O4)2(H2O)4]·4H2O, (II), are, respectively, the manganese(II) and iron(II) complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid. The complete molecule of each complex is generated by inversion symmetry. Each metal ion is coordinated by a pyrazine N atom, a pyridine N atom, two carboxylate O atoms, one of which is bridging, and two water O atoms. The metal atoms haveMN2O4coordination geometries and the complexes have a cage-like structure. In the crystals of both compounds, the complexes are linked by O—H...O and O—H...N hydrogen bonds involving the coordinating water molecules, forming chains along [100]. These chains are linked by O—H...O hydrogen bonds involving the non-coordinating water molecules, forming layers parallel to (011). The layers are linked by pairs of C—H...O hydrogen bonds and offset π–π interactions, so forming a hydrogen-bonded three-dimensional framework.

scholarly journals (E)-N′-[4-(Dimethylamino)benzylidene]propionohydrazide monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
S. Naveen ◽  
Seranthimata Samshuddin ◽  
Manuel Rodrigues ◽  
Dandavathi Arunkumar ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Crystal Water ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C

In the title hydrated hydrazine compound, C12H17N3O·H2O, the C=N bond adopts an E conformation. In the crystal, water molecules bridge the hydrazine molecules, via N—H...O and O—H...O hydrogen bonds, forming sheets parallel to the bc plane. There are C—H...π interactions present within the sheets, and further C—H...π interactions link the sheets to form a three-dimensional structure.

scholarly journals (3Z)-3-[(Z)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate

2014 ◽  
Vol 70 (6) ◽  
pp. o721-o721
Author(s):  
Yong-Hong Liu ◽  
Lei Zhao ◽  
Ming-Xuan Liu ◽  
Hai Lin ◽  
Jing-Jing Li
Keyword(s):  
Hydrogen Bonds ◽  
Microwave Irradiation ◽  
Organic Molecule ◽  
Condensation Reaction ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Compound C ◽  
One Step ◽  
The One

In the title compound, C16H10N4O2·0.17H2O, prepared by the one-step condensation reaction of isatin with hydrazine hydrate under microwave irradiation, the complete organic molecule is generated by crystallographic inversion symmetry and therefore exists in anS-transconformation. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating a three-dimensional framework with [001] channels, which are occupied by the disordered water molecules.

Hydrogen-Bonded Three-Dimensional Molecular Architectures Featuring Carboxylate - Imidazole - Zinc Triad Systems

2002 ◽  
Vol 55 (11) ◽  
pp. 741 ◽  
Author(s):  
Jin-Hua Yang ◽  
Shao-Liang Zheng ◽  
Jun Tao ◽  
Gao-Feng Liu ◽  
Xiao-Ming Chen
Keyword(s):  
Hydrogen Bonds ◽  
Critical Role ◽  
Three Dimensional ◽  
Water Molecules ◽  
Molecular Architecture ◽  
Lattice Water ◽  
Carboxylate Oxygen ◽  
Polymeric Chains ◽  
Molecular Architectures ◽  
Hydrogen Bonded

Two complexes, [Zn(Him)2(mpa)] (1) and [Zn(Him)2(tpa)]·H2O (2) (Him = imidazole, mpa = m-phthalate, and tpa = terephthalate), have been prepared and structurally characterized, revealing two different three-dimensional hydrogen-bonded molecular architectures. Each features [Zn(Him)2(dicarboxylate)] zigzag polymeric chains and intermolecular N–H…O hydrogen bonds between the uncoordinated Him nitrogen atoms and carboxylate oxygen atoms that are similar to the carboxylate–histidine–zinc triad systems in zinc(II) enzymes. The lattice water molecules in complex (2) play a critical role in the formation of a three-dimensional hydrogen-bonded molecular architecture.

scholarly journals catena-Poly[[[diaqua(1,10-phenanthroline-κ2 N,N′)cobalt(II)]-μ-4-hydroxy-3-sulfonatobenzoato-κ2 O 3:O 1] sesquihydrate]

2012 ◽  
Vol 68 (6) ◽  
pp. m721-m721
Author(s):  
Xiang-Qian Fang ◽  
Shan Gao ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Octahedral Environment ◽  
Metal Atoms ◽  
Dimensional Network ◽  
A Chain

The 1,10-phenanthroline-chelated CoII atom in the polymeric title compound, {[Co(C7H4O6S)(C12H8N2)(H2O)2]·1.5H2O} n , is connected to the sulfonate O atom of one 4-hydroxy-3-sulfonatobenzoate dianion and to the carboxylate O atom of another dianion. It is also coordinated by two water molecules in a trans-CoN2O4 octahedral environment. The dianion links adjacent metal atoms into a chain running along [110]. The chains are linked by O—H...O hydrogen bonds into a three-dimensional network.

Thymine hydrogen peroxide 0.55-solvate 0.45-hydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4483-o4483 ◽  
Author(s):  
Andrei V. Churakov ◽  
Judith A. K. Howard
Keyword(s):  
Hydrogen Peroxide ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonded

Thymine crystallizes from 50% hydrogen peroxide to give the title hydrogen peroxide water solvate, C5H6N2O2·0.55H2O2·0.45H2O. The disordered peroxide and water molecules occupy the same positions. Thymine molecules are linked together by N—H...O hydrogen bonds forming chains parallel to the ac diagonal. Hydrogen peroxide molecules are combined by O—H...O hydrogen bonds to give chains parallel to the c axis. Both kinds of chains are organized in a three-dimensional hydrogen-bonded network.

scholarly journals Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison

2016 ◽  
Vol 72 (2) ◽  
pp. 233-237 ◽  
Author(s):  
Montserrat Alfonso ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Diethyl Ester ◽  
Rotation Symmetry ◽  
Pyrazine Ring ◽  
Π Interactions ◽  
Compound Ii

In dimethyl 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylate, C18H14N4O4, (I), and diethyl 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylate, C20H18N4O4, (II), the dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid, the orientation of the two pyridine rings differ. In (I), pyridine ringBis inclined to pyrazine ringAby 44.8 (2)° and the pyridine and pyrazine N atoms aretransto one another, while pyridine ringCis inclined to the pyrazine ring by 50.3 (2)°, with the pyridine and pyrazine N atomscisto one another. In compound (II), the diethyl ester, which possesses twofold rotation symmetry, the pyridine ring is inclined to the pyrazine ring by 40.7 (1)°, with the pyridine and pyrazine N atomstransto one another. In the crystal of (I), molecules are linked by C—H...N hydrogen bonds, forming chains along [001]. The chains are linked by C—H...π interactions, forming a three-dimensional structure. In the crystal of (II), molecules are linkedviaC—H...O hydrogen bonds, forming a three-dimensional framework. There are C—H...π interactions present within the framework.

scholarly journals 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

scholarly journals 3,5-Diamino-4H-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Sanae Lahmidi ◽  
El Mokhtar Essassi ◽  
Mohammed Benchidmi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Salt Hydrate ◽  
Π Interactions ◽  
Benzene Rings ◽  
The Mean

The crystal of the title salt hydrate, C2H6N5+·C7H4NO4−·2H2O, is built up from a 3,5-diamino-4H-1,2,4-triazol-1-ium cation linked to a 4-nitrobenzoate anion and to two water molecules through strong hydrogen bonds. The triazolyl ring is virtually planar, with the maximum deviation from the mean plane being 0.003 (1) Å. Small twists are noted in the anion with the dihedral angles between the ring and carboxylate and nitro groups being 7.82 (13) and 9.10 (15)°, respectively. In the crystal, molecules are linked by N—H...O, N—H...N, O—H...O and C—H...O interactions, forming layers parallel to (-101). The sheets are linked by O—H...O hydrogen bonds and π–π interactions between triazole and benzene rings [inter-centroid separation = 3.4967 (8) Å] to form a three-dimensional structure.

scholarly journals Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid

2014 ◽  
Vol 70 (3) ◽  
pp. 315-319 ◽  
Author(s):  
Graham Smith
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ammonium Salts ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Two Dimensional ◽  
Structure Extension ◽  
Polymeric Structures ◽  
Hydrogen Bonded

The structures of ammonium 3,5-dinitrobenzoate, NH4+·C7H3N2O6−, (I), ammonium 4-nitrobenzoate dihydrate, NH4+·C7H4NO4−·2H2O, (II), and ammonium 2,4-dichlorobenzoate hemihydrate, NH4+·C7H3Cl2O2−·0.5H2O, (III), have been determined and their hydrogen-bonded structures are described. All three salts form hydrogen-bonded polymeric structures,viz.three-dimensional in (I) and two-dimensional in (II) and (III). With (I), a primary cation–anion cyclic association is formed [graph setR43(10)] through N—H...O hydrogen bonds, involving a carboxylate group with both O atoms contributing to the hydrogen bonds (denoted O,O′-carboxylate) on one side and a carboxylate group with one O atom involved in two hydrogen bonds (denoted O-carboxylate) on the other. Structure extension involves N—H...O hydrogen bonds to both carboxylate and nitro O-atom acceptors. With structure (II), the primary inter-species interactions and structure extension into layers lying parallel to (001) are through conjoined cyclic hydrogen-bonding motifs,viz.R43(10) (one cation, an O,O′-carboxylate group and two water molecules) and centrosymmetricR42(8) (two cations and two water molecules). The structure of (III) also has conjoinedR43(10) and centrosymmetricR42(8) motifs in the layered structure but these differ in that the first motif involves one cation, an O,O′-carboxylate group, an O-carboxylate group and one water molecule, and the second motif involves two cations and two O-carboxylate groups. The layers lie parallel to (100). The structures of salt hydrates (II) and (III), displaying two-dimensional layered arrays through conjoined hydrogen-bonded nets, provide further illustration of a previously indicated trend among ammonium salts of carboxylic acids, but the anhydrous three-dimensional structure of (I) is inconsistent with that trend.

scholarly journals catena-Poly[[lithium-μ2-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ6O2,N1,O6;O3,N4,O5-lithium-di-μ-aqua-κ4O:O] 2.5-hydrate]

2014 ◽  
Vol 70 (6) ◽  
pp. m234-m235 ◽  
Author(s):  
Wojciech Starosta ◽  
Janusz Leciejewicz
Keyword(s):  
Hydrogen Bonds ◽  
Metal Ion ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Water Molecules ◽  
Site Symmetry ◽  
Orthorhombic Unit Cell ◽  
Trigonal Bipyramidal ◽  
Carboxylate Groups ◽  
A Site

The title coordination polymer, {[Li2(C8H2N2O8)(H2O)2]·2.5H2O}n, is built up from molecular ribbons propagating in thec-axis direction of the orthorhombic unit cell; the ligand bridges two Li+ions using both itsN,O,O′-bonding sites and adjacent Li+ions are bridged by pairs of water molecules. The coordination geometry of the metal ion is distorted trigonal bipyramidal, with the ligand O atoms in the axial sites. Two of the carboxylate groups of the ligand remain protonated and form short symmetric O—H...O hydrogen bonds. In the crystal, the ribbons interactviaa network of O—H...O hydrogen bonds in which coordinating water molecules act as donors and carboxylate O atoms within adjacent ribbons act as acceptors, giving rise to a three-dimensional framework. O—H...N interactions are also observed. The asymmetric unit contains quarter of the ligand and the complete ligand has 2/msymmetry; the Li+ion lies on a special position withm.. site symmetry. Both bridging water molecules havem2msite symmetry and both lattice water molecules havem.. site symmetry; one of the latter was modelled with a site occupancy of 0.25.

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