scholarly journals Triclinic modification of diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ2N3,O4)iron(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1093-m1094 ◽  
Author(s):  
Eriko Ohshima ◽  
Kazuki Yoshida ◽  
Kazumasa Sugiyama ◽  
Hidehiro Uekusa
Keyword(s):  
Imidazole Ring ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Intermolecular Hydrogen Bonds ◽  
Acta Cryst ◽  
Monoclinic Form ◽  
Carboxylate Anions ◽  
Distorted Octahedral ◽  
Triclinic Modification ◽  
A Chain

The title compound, [Fe(C5H3N2O4)2(H2O)2], is a triclinic modification of a monoclinic form recently reported by Duet al.[Acta Cryst.(2011), E67, m997]. The FeIIion lies at an inversion center and is coordinated by two N and two O atoms from two 5-carboxy-1H-imidazole-4-carboxylate ligands intranspositions, together with two water molecules, completing a slightly distorted octahedral coordination. Intermolecular N—H...O hydrogen bonding between the N—H group of the imidazole ring and the deprotonated carboxylate group builds a chain of 5-carboxy-1H-imidazole-4-carboxylate anions along the [101] direction. The water molecules form intermolecular hydrogen bonds to O—C and O=C sites of the carboxylate group in adjacent layers.

Hydrate von Li3VO4: Synthese und Strukturchemie / Hydrates of Li3VO4: Synthesis and Structural Chemistry

2007 ◽  
Vol 62 (10) ◽  
pp. 1235-1245 ◽  
Author(s):  
Simone Schnabel ◽  
Caroline Röhr
Keyword(s):  
Hydrogen Bonds ◽  
Building Blocks ◽  
Water Molecules ◽  
Space Group ◽  
Space Groups ◽  
Monoclinic Form ◽  
Lithium Sulfide ◽  
3D Network ◽  
Coordination Spheres ◽  
A Chain

Stoichiometric hydrates of Li3VO4, the hexahydrate and two polymorphs of the octahydrate, were prepared by evaporation of alkaline aqueous solutions 1 molar in LiOH and 0.5 molar in the metavanadate LiVO3 at r. t. with or without the addition of Lithium sulfide, i. e. at different pH values. Their crystal structures have been determined and refined using single crystal X-ray data; all lithium and hydrogen atom positions were localised and refined without contraints. All three title compounds crystallise in non-centrosymmetric space groups. The water molecules belong to the tetrahedral coordination spheres of the Li cations, i. e. they are embedded as water of coordination exclusively. The tetrahedral orthovanadate(V) anions VO3−4 and the LiO4 tetrahedra are connected via common O corners to form building units which are further held together by strong, nearly linear hydrogen bonds. The hexahydrate Li3VO4 ・ 6H2O (space group R3, a = 962.9(2), c = 869.2(2) pm, Z = 3, R1 = 0.0260) contains isolated orthovanadate(V) anions VO3−4 surrounded by a 3D network of cornersharing Li(H2O)4 tetrahedra forming rings of three, seven and eight units. The water molecules are ‘isolated’ in the sense that no hydrogen bonds are formed between water molecules. The octahydrate is dimorphous: The triclinic polymorph of Li3VO4 ・ 8H2O (space group P1, a = 592.6(2), b = 651.3(2), c = 730.2(4) pm, α = 89.09(2), β = 89.43(2), γ = 88.968(12)°, Z = 1, R1 = 0.0325) contains two types of chains of tetrahedra: One consists of corner-sharing Li(H2O)4 tetrahedra only, the second one is formed by alternating LiO4 and VO4 tetrahedra, also sharing oxygen corners. Only one water molecule is ‘isolated’, the other seven form a branched fragment of a chain with hydrogen bonds between them. In the monoclinic form of Li3VO4・8H2O (space group Pc, a = 732.6(1), b = 653.7(1), c = 1292.9(3) pm, β = 112.21(1)°, Z = 2, R1 = 0.0289) a fragment of a chain of three LiO4 tetrahedra, two of which share a common edge, and one VO4 tetrahedron represent the formular unit. These building blocks are connected via hydrogen bonds formed by three ‘isolated’ water molecules and a chain fragment of five connected water molecules.

scholarly journals Crystal structure ofcatena-poly[[diaquabis(4-formylbenzoato-κO1)cobalt(II)]-μ-pyrazine-κ2N:N′]

2015 ◽  
Vol 71 (4) ◽  
pp. 339-341 ◽  
Author(s):  
Gülçin Şefiye Aşkın ◽  
Fatih Çelik ◽  
Nefise Dilek ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Polymeric Compound ◽  
Distorted Octahedral Coordination ◽  
Linear Chains ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, the CoIIatom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by two carboxylate O atoms of two symmetry-related monodentate formylbenzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bisected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water molecules. In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.50 (8)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 64.90 (4)°. The pyrazine ligands bridge the CoIIcations, forming linear chains running along theb-axis direction. Strong intramolecular O—H...O hydrogen bonds link the water molecules to the carboxylate O atoms. In the crystal, weak O—Hwater...Owaterhydrogen bonds link adjacent chains into layers parallel to thebcplane. The layers are linkedviaC—Hpyrazine...Oformylhydrogen bonds, forming a three-dimensional network. There are also weak C—H...π interactions present.

A three-dimensional polycatenation framework:catena-poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ2-naphthalene-2,6-dicarboxylato]

2013 ◽  
Vol 69 (9) ◽  
pp. 1022-1025 ◽  
Author(s):  
Cui-Lian Guo ◽  
Xiao-Qiang Yao ◽  
Yong-Qiang Cheng ◽  
Yan Liu
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonds ◽  
One Dimensional ◽  
Pyridine Ligands ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
The Stability ◽  
Coordinated Water

In the title compound, [Ni(C12H6O4)(C22H16N2O)2(H2O)2]n, the Ni2+cation resides on a centre of inversion in a slightly distorted octahedral [N2O4] environment. The two carboxylate groups of each naphthalene-2,6-dicarboxylate (NDC2−) ligand, which reside on centres of inversion, link the NiIIcations into a one-dimensional chain. Identical chains are linked by intermolecular hydrogen bonds between coordinated water molecules and the uncoordinated N atoms of 4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine ligands to form (4,4)-topological sheets, and then the different sheets are interlocked in an inclined fashion to give a three-dimensional polycatenation network. The stability of the structure is further enhanced by π–π stacking interactions between pyridine and benzene rings.

scholarly journals Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)zinc

2012 ◽  
Vol 68 (8) ◽  
pp. m1127-m1128 ◽  
Author(s):  
Mustafa Sertçelik ◽  
Nagihan Çaylak Delibaş ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Benzene Rings

In the title complex, [Zn(C8H5O3)2(C6H6N2O)2(H2O)2], the ZnIIcation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.13 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 88.52 (4)°. The coordinating water molecule links with the carboxylate groupviaan O—H...O hydrogen bond. In the crystal, N—H...O and O—H...O hydrogen bonds, and a weak C—H...π interaction link the molecules into a two-dimensional network parallel to (010). These networks are linkedviaC—H...O and π–π interactions between inversion-related benzene rings [centroid–centroid distance = 3.8483 (7) Å], forming a three-dimensional supramolecular structure.

scholarly journals cis-Tetraaquabis{5-[4-(1H-imidazol-1-yl-κN3)phenyl]tetrazolido}manganese(II) dihydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m413-m414 ◽  
Author(s):  
Xin Wang ◽  
Shi-Wei Yan ◽  
Suo-Cheng Chang ◽  
Yan-Chen Liang ◽  
Fu-Tian Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Octahedral Geometry ◽  
Dimensional Structure ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Solvent Water ◽  
Distorted Octahedral

In the title compound, [Mn(C10H7N6)2(H2O)4]·2H2O, the complex unit comprises an Mn2+ion, coordinated by two imidazole N atoms fromcis-related monodentate 5-[4-(imidazol-1-yl)phenyl]tetrazolide ligands and four water molecules, together with two water molecules of solvation. The Mn2+ion lies on a twofold rotation axis and has a slightly distorted octahedral geometry. The molecules are connected by O—H...N and O—H...O hydrogen bonds involving both coordinated and solvent water molecules, generating a three-dimensional structure. Two C atoms of the imidazole ring of the ligand are each disordered over two sites with occupancy factors of 0.75 and 0.25.

scholarly journals Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN1)cobalt(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m521-m522 ◽  
Author(s):  
Ömür Aydın ◽  
Nagihan Çaylak Delibaş ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Carboxylate Group ◽  
Inversion Center ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title complex, [Co(C7H4IO2)2(C6H6N2O)2(H2O)2], the CoIIcation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 22.3 (3)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 84.59 (13)°. Intramolecular O—H...O hydrogen bonding occurs between the carboxylate group and coordinated water molecule. In the crystal, N—H...O, O—H...O and weak C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular network.

scholarly journals Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)cobalt(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1091-m1092 ◽  
Author(s):  
Mustafa Sertçelik ◽  
Nagihan Çaylak Delibaş ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Carboxylate Group ◽  
Inversion Center ◽  
Centroid Distance ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Benzene Rings

In the title complex, [Co(C8H5O3)2(C6H6N2O)2(H2O)2], the CoIIcation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.91 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 88.84 (4)°. The coordinating water molecule links with the carboxylate groupviaan intramolecular O—H...O hydrogen bond. In the crystal, N—H...O, O—H...O and weak C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π stacking between the parallel benzene rings of adjacent molecules [centroid–centroid distance = 3.8505 (8) Å] may further stabilize the structure. A weak C—H...π interaction also occurs in the crystal.

scholarly journals Crystal structure ofcatena-poly[[[trans-bis(acetonitrile-κN)diaquacobalt(II)]-μ-pyrazine-κ2N:N′] dinitrate]

2016 ◽  
Vol 72 (2) ◽  
pp. 151-154
Author(s):  
Chen Liu ◽  
Ashley C. Felts ◽  
Annaliese E. Thuijs ◽  
Aaron Useche ◽  
Khalil A. Abboud
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Structural Motif ◽  
Water Molecules ◽  
Inversion Center ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
A Chain ◽  
Nitrate Anions

The central structural motif of the title coordination polymer, [Co(NO3)2(C4H4N2)(CH3CN)2(H2O)2]n, is a chain composed of CoIIions linked by bis-monodentate bridging pyrazine ligands through their N atoms. The CoIIion is located on an inversion center and is additionally coordinated by two O atoms of water molecules and two N atoms of acetonitrile molecules. The resultant N4O2coordination sphere is distorted octahedral. The linear cationic chains extend parallel to theaaxis and are aligned into layers parallel to theacplane. Nitrate anions are situated in the space between the CoIIchains and form O—H...O hydrogen bonds with the coordinating water molecules, leading to a three-dimensional network structure. Weak C—H...O hydrogen bonds are also present between pyrazine or acetonitrile molecules and the nitrate anions.

scholarly journals Synthesis, crystal structure and magnetic properties of poly[[diaqua{μ6-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] 1.6-hydrate]

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Jie Ma ◽  
Wen-Zhi Zhang ◽  
Yong Liu ◽  
Wen-Tao Yi
Keyword(s):  
Title Compound ◽  
Magnetic Measurements ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Intermolecular Hydrogen Bonds ◽  
Water Solvent ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Solvent Molecules

The asymmetric unit of the polymeric title compound {[Co2(C12H7NO8)(H2O)2]·1.6H2O} n comprises two CoII ions, which are coordinated by fully deprotonated 2-aminodiacetic terephthalic acid (adtp4–) and terminal water molecules in distorted octahedral N1O5 and O6 coordination environments. The title compound features tetranuclear CoII units bridged by κ 3 O:O:O′- and κ 3 O:O,O′-carboxylate groups, which are joined into ribbons via syn–anti carboxylate bridges. The parallel adtp4– ligands with an alternately reversed arrangement further link adjacent CoII ribbons into (010) layers, which are assembled into a three-dimensional supramolecular network via intermolecular hydrogen bonds. The disordered water solvent molecules are situated in channels parallel to [100]. Magnetic measurements and analyses reveal that the title compound displays antiferromagnetic behaviour. The purity of the title compound was characterized by X-ray powder diffraction.

scholarly journals Diaquabis(tetrazolo[1,5-a]pyridine-8-carboxylato-κ2N1,O)cobalt(II) dihydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m684-m684 ◽  
Author(s):  
Min Xue ◽  
Fu-Chen Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Inversion Center ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Carboxylate Anions ◽  
Distorted Octahedral

In the title compound, [Co(C6H3N4O2)2(H2O)2]·2H2O, the CoIIatom is located on an inversion center in a slightly distorted octahedral environment formed by the O atoms of two water molecules, and the N and O atoms of the chelating tetrazolo[1,5-a]pyridine-8-carboxylate anions. Hydrogen bonds of the O—H...O and O—H...N types result in a three-dimensional supramolecular network.

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