scholarly journals Crystal structure of bis[(5-amino-1H-1,2,4-triazol-3-yl-κN4)acetato-κO]diaquanickel(II) dihydrate

2014 ◽  
Vol 70 (11) ◽  
pp. 286-289
Author(s):  
Victor M. Chernyshev ◽  
Anna V. Chernysheva ◽  
Raisa S. Abagyan ◽  
Victor B. Rybakov
Keyword(s):  
Hydrogen Bonds ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Boat Conformation ◽  
The Novel ◽  
Complex Molecules ◽  
Triazole Ligand ◽  
Twisted Boat ◽  
Puckering Parameters

The title compound, [Ni(C4H5N4O2)2(H2O)2]·2H2O, represents the first transition metal complex of the novel chelating triazole ligand, 2-(5-amino-1H-1,2,4-triazol-3-yl)acetic acid (ATAA), to be structurally characterized. In the molecule of the title complex, the nickel(II) cation is located on an inversion centre and is coordinated by two water molecules in axial positions and two O and two N atoms from twotrans-oriented chelating anions of the deprotonatedATAAligand, forming a slightly distorted octahedron. Thetransangles of the octahedron are all 180° due to the inversion symmetry of the molecule. Thecis-angles are in the range 87.25 (8)–92.75 (8)°. The six-membered chelate ring adopts a slightly twisted boat conformation with puckering parametersQ= 0.542 (2) Å, Θ = 88.5 (2) and ϕ = 15.4 (3)°. The molecular conformation is stabilized by intramolecular N—H...O hydrogen bonds between the amino group and the chelating carboxylate O atom of twotrans-oriented ligands. In the crystal, the complex molecules and lattice water molecules are linked into a three-dimensional framework by an extensive network of N—H...O, O—H...O and O—H...N hydrogen bonds.

scholarly journals Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(1,10-phenanthroline-κ2N,N′)zinc trihydrate

2015 ◽  
Vol 71 (9) ◽  
pp. m162-m163
Author(s):  
Siddhartha S. Baisya ◽  
Baidyanath Ghosh ◽  
Parag S. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carboxylate Ligand ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Zn(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the ZnIIatom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H...O, O—H...N and O—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å.

A 16-connected three-dimensional hydrogen-bonding network in tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate

2014 ◽  
Vol 70 (7) ◽  
pp. 668-671 ◽  
Author(s):  
Zhi-Hui Zhang ◽  
Jin-Long Wang ◽  
Ning Gao ◽  
Ming-Yang He
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Linear Chain ◽  
Three Dimensional ◽  
Organic Salt ◽  
Water Molecules ◽  
The Novel ◽  
One Dimensional ◽  
Connected Node ◽  
Hydrogen Bonding Network

The novel title organic salt, 4C5H7N2+·C24H8O84−·8H2O, was obtained from the reaction of perylene-3,4,9,10-tetracarboxylic acid (H4ptca) with 4-aminopyridine (4-ap). The asymmetric unit contains half a perylene-3,4,9,10-tetracarboxylate (ptca4−) anion with twofold symmetry, two 4-aminopyridinium (4-Hap+) cations and four water molecules. Strong N—H...O hydrogen bonds connect each ptca4−anion with four 4-Hap+cations to form a one-dimensional linear chain along the [010] direction, decorated by additional 4-Hap+cations attached by weak N—H...O hydrogen bonds to the ptca4−anions. Intermolecular O—H...O interactions of water molecules with ptca4−and 4-Hap+ions complete the three-dimensional hydrogen-bonding network. From the viewpoint of topology, each ptca4−anion acts as a 16-connected node by hydrogen bonding to six 4-Hap+cations and ten water molecules to yield a highly connected hydrogen-bonding framework. π–π interactions between 4-Hap+cations, and between 4-Hap+cations and ptca4−anions, further stabilize the three-dimensional hydrogen-bonding network.

scholarly journals Diaquabis[2,6-bis(4H-1,2,4-triazol-4-yl)pyridine-κN2]bis(selenocyanato-κN)cobalt(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1097-m1098
Author(s):  
Yuan-Yuan Liu ◽  
Pan Yang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Pyridine Ligand ◽  
Complex Molecules ◽  
Pyridine Ligands

In the title compound, [Co(NCSe)2(C9H7N7)2(H2O)2], the Co2+cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligands and two water molecules within a slightly distorted N4O2octahedron. The asymmetric unit consists of one Co2+cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to thebcplane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

scholarly journals Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate

2012 ◽  
Vol 68 (8) ◽  
pp. o2392-o2393 ◽  
Author(s):  
K. N. Venugopala ◽  
Susanta K. Nayak ◽  
Bharti Odhav
Keyword(s):  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Molecular Assembly ◽  
Boat Conformation ◽  
Π Interactions ◽  
Compound C

In the title compound, C33H32N2O2, the tetrahydropyridine ring adopts a boat conformation with the carbonyl group in ans-cisconformation with respect to the C=C bond of the six-membered tetrahydropyridine ring. The molecular conformation is stabilized by intramolecular N—H...O, C—H...O and C—H...π interactions. Formation of centrosymmetric head-to-head dimers is observed through pairwise intermolecular N—H...O hydrogen bonds. Additional weak C—H...O and C—H...π interactions stabilize the three-dimensional molecular assembly.

Diaquabis(dicyanamido)bis[4-(2-pyridyl)-4H-1,2,4-triazole-κN 1]cobalt(II)

2006 ◽  
Vol 62 (7) ◽  
pp. m1479-m1481 ◽  
Author(s):  
Yu-Hong Ma ◽  
Pi-Zhuang Ma ◽  
Huan-Qin Zhu ◽  
Chang-Cheng Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Two Dimensional ◽  
Complex Molecules ◽  
Dimensional Network

The title complex, [Co(C2N3)2(C7H6N4)2(H2O)2] or [Co(dca)2(pytrz)2(H2O)2], where pytrz is 4-(2-pyridyl)-4H-1,2,4-triazole and dca is the dicyanamide monoanion, was prepared using pytrz, Na(dca) and CoCl2·6H2O. The CoII atom lies on a center of inversion and is coordinated in a slightly distorted octahderal geometry by two pytrz ligands, two dca ligands and two trans-oriented water molecules. In the crystal structure, complex molecules are linked by O—H...N hydrogen bonds into a two-dimensional network and further into a three-dimensional network via weak C—H...N hydrogen bonds.

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

2012 ◽  
Vol 68 (4) ◽  
pp. m433-m434 ◽  
Author(s):  
Shao-Wei Tong ◽  
Wen-Dong Song ◽  
Dong-Liang Miao ◽  
Shi-Jie Li ◽  
Jing-Bo An
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Complex Molecules ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Ring Centroid

In the title compound, [Mn(C10H7N6)2(H2O)4]·2H2O, the Mn2+lies on a twofold rotation axis and is six-coordinated by two N atoms from thecis-related monodentate 5-[4-(imidazol-1-yl)phenyl]tetrazolide ligands and four O atoms from the coordinated water molecules. The complex molecules are connectedviawater O—H...O and O—H...N hydrogen bonds and weak π–π stacking interactions between the benzene rings [minimum ring centroid separation = 3.750 (6) Å] into a three-dimensional polymeric structure. The imidazolyl group of the ligand is partially disordered over two sets of sites with refined occupancies of 0.531 (7):0.469 (7).

scholarly journals Diaquabis(nicotinamide-κN1)bis(thiocyanato-κN)nickel(II)

2014 ◽  
Vol 70 (5) ◽  
pp. m183-m183
Author(s):  
Deepanjali Pandey ◽  
Shahid S. Narvi ◽  
Gopal K. Mehrotra ◽  
Raymond J. Butcher
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Amino Groups ◽  
Complex Molecules ◽  
Octahedral Environment ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Monodentate Ligands

In the title complex, [Ni(NCS)2(C6H6N2O)2(H2O)2], the NiIIion is located on an inversion center and is coordinated in a distorted octahedral environment by two N atoms from two nicotinamide ligands and two water molecules in the equatorial plane, and two N atoms from two thiocyanate anions in the axial positions, all acting as monodentate ligands. In the crystal, weak N—H...S hydrogen bonds between the amino groups and the thiocyanate anions form anR42(8) motif. The complex molecules are linked by O—H...O, O—H...S, and N—H...S hydrogen bonds into a three-dimensional supramolecular structure. Weak π–π interactions between the pyridine rings is also found [centroid–centroid distance = 3.8578 (14) Å].

scholarly journals Crystal structure of the tetraaquabis(thiocyanato-κN)cobalt(II)–caffeine–water (1/2/4) co-crystal

2017 ◽  
Vol 73 (7) ◽  
pp. 980-982
Author(s):  
H. El Hamdani ◽  
M. El Amane ◽  
C. Duhayon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral

In the structure of the title compound [systematic name: tetraaquabis(thiocyanato-κN)cobalt(II)–1,3,7-trimethyl-1,2,3,6-tetrahydro-7H-purine-2,6-dione–water (1/2/4)], [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt(II) cation lies on an inversion centre and is coordinated in a slightly distorted octahedral geometry by the oxygen atoms of four water molecules and two N atoms of twotrans-arranged thiocyanate anions. In the crystal, the complex molecules interact with the caffeine molecules through O—H...N, O—H...O and C—H...S hydrogen bonds and π–π interactions [centroid-to-centroid distance = 3.4715 (5) Å], forming layers parallel to theabplane, which are further connected into a three-dimensional network by O—H...O and O—H...S hydrogen bonds involving the non-coordinating water molecules.

scholarly journals Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(1,10-phenanthroline-κ2N,N′)copper(II) trihydrate

2014 ◽  
Vol 70 (11) ◽  
pp. 348-351 ◽  
Author(s):  
Siddhartha S. Baisya ◽  
Parag S. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Aromatic Rings ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Cu(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, the CuIIcation isO,N,O′-chelated by the 2-amino-7-methyl-4-oxidopteridine-6-carboxylate anion andN,N′-chelated by the 1,10-phenanthroline (phen) ligand. A water molecule further coordinates to the CuIIcation to complete the elongated distorted octahedral coordination geometry. In the molecule, the pteridine ring system is essentially planar [maximum deviation = 0.055 (4) Å], and its mean plane is nearly perpendicular to the phen ring system [dihedral angle = 85.97 (3)°]. In the crystal, N—H...O, O—H...N and O—H...·O hydrogen bonds, as well as weak C—H...O hydrogen bonds and C—H...π interactions, link the complex molecules and lattice water molecules into a three-dimensional supramolecular architecture. Extensive π–π stacking between nearly parallel aromatic rings of adjacent molecules are also observed, the centroid-to-centroid distances being 3.352 (2), 3.546 (3), 3.706 (3) and 3.744 (3) Å.

scholarly journals Crystal structure oftrans-diaquabis(1H-pyrazole-3-carboxylato-κ2N,O)copper(II) dihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. m232-m233 ◽  
Author(s):  
Santiago Reinoso ◽  
Beñat Artetxe ◽  
Oscar Castillo ◽  
Antonio Luque ◽  
Juan M. Gutiérrez-Zorrilla
Keyword(s):  
Hydrogen Bonds ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Organic Ligands ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Carboxylate Ligands ◽  
Dimensional Network ◽  
Additional Hydrogen

In the title compound, [Cu(C4H3N2O2)2(H2O)2]·2H2O, the CuIIion is located on an inversion centre and exhibits an axially elongated octahedral coordination geometry. The equatorial plane is formed by twoN,O-bidentate 1H-pyrazole-3-carboxylate ligands in atransconfiguration. The axial positions are occupied by two water molecules. The mononuclear complex molecules are arranged in layers parallel to theabplane. Each complex molecule is linked to four adjacent species through intermolecular O—H...O and N—H...O hydrogen bonds that are established between the coordinating water molecules and carboxylate O atoms or protonated N atoms of the organic ligands. These layers are further connected into a three-dimensional network by additional hydrogen bonds involving solvent water molecules and non-coordinating carboxylate O atoms.

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