scholarly journals catena-Poly[[trans-bis(1,3-benzothiazole-κN)manganese(II)]-di-μ-chlorido]

2014 ◽  
Vol 70 (7) ◽  
pp. m275-m275 ◽  
Author(s):  
Hasna Bouchareb ◽  
Sabrina Benmebarek ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Mhamed Boudraa
Keyword(s):  
Coordination Polymer ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Octahedral Coordination ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Π Stacking ◽  
Centroid Distance ◽  
Cl Atoms

In the title coordination polymer, [MnCl2(C7H5NS)2]n, the MnIIion is located on the intersection of a twofold rotation axis and a mirror plane and adopts an octahedral coordination geometry defined by two mutuallytransN atoms from benzothiazole ligands which occupy the axial positions, and four Cl atoms which form the equatorial sites. The MnIIions are connected by two bridging Cl atoms, forming chains parallel to thecaxis. The crystal packing can be descibed as alternating layers parallel to (001) featuring π–π stacking interactions with a centroid–centroid distance of 3.6029 (15) Å.

Bis(acetato-κO)aquabis[3-(pyrazin-2-yloxy)pyridine-κN]copper(II)

2007 ◽  
Vol 63 (3) ◽  
pp. m824-m825
Author(s):  
Hong-Yan Zhao ◽  
Jing-Min Shi ◽  
Lian-Dong Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Mononuclear Complex ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Π Stacking

The title compound, [Cu(CH3CO2)2(C9H7N3O)2(H2O)], is a mononuclear complex in which the CuII atom assumes a square-pyramidal coordination geometry. The Cu atom and the aqua O atom lie on a crystallographic twofold rotation axis. In the crystal structure, there are hydrogen bonds and π–π stacking interactions between neighboring molecules, which stabilize the crystal packing.

scholarly journals A new polymorph of 5,5′-(ethane-1,2-diyl)bis(1H-tetrazole)

2012 ◽  
Vol 68 (4) ◽  
pp. o989-o989 ◽  
Author(s):  
Cheng-Fang Qiao ◽  
Chun-Sheng Zhou ◽  
Qing Wei ◽  
Zheng-Qiang Xia
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The asymmetric unit of the title compound, C4H6N8, contains a quarter of the molecule, which possesses a crystallographically imposed centre of symmetry with all non-H atoms situated on a mirror plane. The crystal packing exhibits intermolecular N—H...N hydrogen bonds and π–π stacking interactions between the tetrazole rings of adjacent molecules [centroid–centroid distance = 3.4402 (10) Å].

scholarly journals 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (7) ◽  
pp. o804-o804
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Type I ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Cl Atoms

In the title compound, C11H7ClO3, a chlorinated and methylated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670 Å), with the largest deviation from the least-squares plane [0.2349 (17) Å] being for the pyran carbonyl O atom. In the crystal, molecules are linked through π–π stacking interactions along theaaxis [centroid–centroid distance between the pyran rings = 3.824 (6) Å] and two stacks are connected by type I halogen–halogen interactions between the Cl atoms [Cl...Cl = 3.397 (3) Å].

scholarly journals Diaquabis(1H-imidazole-4-carboxylato-κ2N3,O)cobalt(II)

2013 ◽  
Vol 69 (2) ◽  
pp. m94-m94 ◽  
Author(s):  
Beñat Artetxe ◽  
Leire San Felices ◽  
Aroa Pache ◽  
Santiago Reinoso ◽  
Juan M. Gutiérrez-Zorrilla
Keyword(s):  
Crystal Packing ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Carboxylate Ligands ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title compound, [Co(C4H3N2O2)2(H2O)2], contains a CoIIcation on a twofold rotation axis, exhibiting a distorted octahedral coordination geometry. The equatorial plane is formed by twoN,O-bidentate 1H-imidazole-4-carboxylate ligands and the axial positions are occupied by water molecules. The crystal packing consists of a three-dimensional network stabilized by O—H...O and N—H...O hydrogen bonds, together with weak π–π interactions [centroid–centroid distance = 3.577 (2) Å] between the imidazole rings.

scholarly journals Sodium selenite pentahydrate, Na2SeO3·5H2O

2013 ◽  
Vol 69 (11) ◽  
pp. i77-i78 ◽  
Author(s):  
Kurt Mereiter
Keyword(s):  
Crystal Structure ◽  
Sodium Selenite ◽  
Crystal Packing ◽  
Rotation Axis ◽  
The Other ◽  
Octahedral Coordination ◽  
Mirror Plane ◽  
Water Molecules ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

In the crystal structure of Na2SeO3·5H2O [disodium selenate(IV) pentahydrate], two Se, two selenite O atoms and one water O atom are located on a mirror plane, and one water O atom is located on a twofold rotation axis. The coordination of one Na+cation is distorted trigonal bipyramidal, formed by three equatorial H2O ligands and two axial selenite O atoms. The other Na+cation has an octahedral coordination by six water molecules. The two independent SeO3groups form almost undistorted trigonal pyramids, with Se—O bond lengths in the range 1.6856 (7)–1.7202 (10) Å and O—Se—O angles in the range 101.98 (3)–103.11 (5)°, and both are μ2-O:O-bonded to a pair of Na+cations. Hydrogen bonds involving all water molecules and selenite O atoms consolidate the crystal packing. Although anhydrous Na2SeO3and Na2TeO3are isotypic, the title compound is surprisingly not isotypic with Na2TeO3·5H2O. In the tellurite hydrate, all Na+cations have an octahedral coordination and the TeO3groups are bonded to Na+onlyviaone of their three O atoms.

scholarly journals Aquabis(2-amino-1,3-thiazole-4-acetato-κ2O,N3)nickel(II)

2009 ◽  
Vol 65 (6) ◽  
pp. m666-m666 ◽  
Author(s):  
Qiu-Fen He ◽  
Dong-Sheng Li ◽  
Jun Zhao ◽  
Xi-Jun Ke ◽  
Cai Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Rotation Axis ◽  
Coordination Geometry ◽  
Π Stacking ◽  
Centroid Distance ◽  
Coordination Plane

In the crystal structure of the title compound, [Ni(C5H5N2O2S)2(H2O)], the NiIIcation is located on a twofold rotation axis and chelated by two 2-amino-1,3-thiazole-4-acetate (ata) anions in the basal coordination plane; a water molecule located on the same twofold rotation axis completes the distorted square-pyramidal coordination geometry. Intermolecular O—H...O and N—H...O hydrogen bonding, as well as π–π stacking between parallel thiazole rings [centroid–centroid distance 3.531 (8) Å], helps to stabilize the crystal structure.

scholarly journals Poly[diaquatris(μ6-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]

2014 ◽  
Vol 70 (5) ◽  
pp. m174-m175
Author(s):  
Sarra Soudani ◽  
Emmanuel Aubert ◽  
Emmanuel Wenger ◽  
Christian Jelsch ◽  
Isabelle Gautier-Luneau ◽  
...  
Keyword(s):  
Water Molecule ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Ring System ◽  
The Other ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound K ◽  
Centroid Distance

The asymmetric unit of the title compound, [K3(C4H2N3O4)3(H2O)2]n, contains two potassium cations (one in general position, one located on a twofold rotation axis), one and a half oxonate anions (the other half generated by twofold symmetry) and one water molecule. As a result of the twofold symmetry, one H atom of the symmetric anion is statistically occupied. Both potassium cations are surrounded by eight oxygen atoms in the form of distorted polyhedra. Adjacent cations are interconnected by oxygen bridges, generating layers parallel to (100). The aromatic ring system of the oxonate anions link these layers into a network structure. The crystal packing is stabilized by N—H...O, O—H...O and O—H...N hydrogen bonds, three of which are bifurcated. In addition, intermolecular π–π stacking interactions exist between neighboring aromatic rings with a centroid–centroid distance of 3.241 (2) Å.

scholarly journals Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

2012 ◽  
Vol 68 (8) ◽  
pp. o2513-o2513 ◽  
Author(s):  
Ling Yin ◽  
Yi Wang ◽  
Ying-Ying Wang ◽  
Jian-Wu Wang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H17BrN2O3, the dihedral angle between the benzene and pyrazole rings is 5.63 (2)°. The crystal packing is stabilized by weak π–π stacking interactions [centroid–centroid distance = 3.927 (5) Å] and intermolecular C—H...O and C—H...Br hydrogen bonds.

Tris(2,2′-bipyridyl-κ2 N,N′)copper(II) hexafluoridophosphate

2007 ◽  
Vol 63 (3) ◽  
pp. m835-m836 ◽  
Author(s):  
Li Wang ◽  
Xue-Yun Yang ◽  
Wei Huang
Keyword(s):  
Title Compound ◽  
Octahedral Coordination ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Π Stacking

The title compound, [Cu(C10H8N2)3](PF6)2, is a six-coordinate copper(II) complex with a slightly tetragonally elongated octahedral coordination geometry. There are weak C—H...F, C—H...N and π–π stacking interactions in the structure.

scholarly journals 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1802-o1802 ◽  
Author(s):  
Bi Jing ◽  
Yuao-Chao Du ◽  
Ai-Xin Zhu
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Interplanar Distance ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The molecule of the title compound, C4H7N3S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one molecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent molecules are linked by N—H...N and N—H...S hydrogen bonds into chains running along the a axis. π–π stacking interactions between the triazole rings [centroid–centroid distance = 3.740 (1) Å and interplanar distance = 3.376 Å] may further stabilize the structure.

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