Control of Intramolecular Ether-Oxygen Coordination in the Crystal Structure of Copper(II) Complexes With Dipicolylamine-Based Ligands

2007 ◽  
Vol 2007 (8) ◽  
pp. 1143-1149 ◽  
Author(s):  
Yuji Mikata ◽  
Tomomi Fujimoto ◽  
Yuko Sugai ◽  
Shigenobu Yano
Keyword(s):  
Crystal Structure ◽  
Oxygen Coordination ◽  
Ether Oxygen

Crystal structure of tamsulosin hydrochloride, C20H29N2O5SCl

2021 ◽  
pp. 1-7
Author(s):  
Nilan V. Patel ◽  
Joseph T. Golab ◽  
James A. Kaduk ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Atom ◽  
Powder Diffraction ◽  
Density Functional ◽  
Carbon Chain ◽  
Strong Hydrogen Bond ◽  
Powder Diffraction File ◽  
Ether Oxygen ◽  
Sulfonamide Group

The crystal structure of tamsulosin hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Tamsulosin hydrochloride crystallizes in space group P21 (#4) with a = 7.62988(2), b = 9.27652(2), c = 31.84996(12) Å, β = 93.2221(2)°, V = 2250.734(7) Å3, and Z = 4. In the crystal structure, two arene rings are connected by a carbon chain oriented roughly parallel to the c-axis. The crystal structure is characterized by two slabs of tamsulosin hydrochloride molecules perpendicular to the c-axis. As expected, each of the hydrogens on the protonated nitrogen atoms makes a strong hydrogen bond to one of the chloride anions. The result is to link the cations and anions into columns along the b-axis. One hydrogen atom of each sulfonamide group also makes a hydrogen bond to a chloride anion. The other hydrogen atom of each sulfonamide group forms bifurcated hydrogen bonds to two ether oxygen atoms. The powder pattern is included in the Powder Diffraction File™ as entry 00-065-1415.

scholarly journals Different Roles of Ce3+ Optical Centers in Oxyorthosilicate Nanocrystals at X-ray and UV Excitation

Crystals ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 114 ◽  
Author(s):  
Vladyslav Seminko ◽  
Pavel Maksimchuk ◽  
Iryna Bespalova ◽  
Yuri Malyukin
Keyword(s):  
Crystal Structure ◽  
Dominant Role ◽  
Luminescence Spectra ◽  
Photoluminescence Intensity ◽  
Bulk Crystals ◽  
Space Group ◽  
X Ray ◽  
Oxygen Coordination ◽  
Cation Sites

Luminescence properties of Lu2SiO5:Ce3+ and Y2SiO5:Ce3+ nanocrystals were studied using photo- and X-ray luminescence techniques. The crystal structure of Re2SiO5 nanocrystals (P21/c space group) differs from the crystal structure of Re2SiO5 bulk crystals (C2/c space group) with 9- and 7-oxygen-coordinated cation positions instead of 6- and 7-coordinated ones observed for Re2SiO5 bulk crystals. Two optical centers (Ce1 and Ce2) were observed for Re2SiO5:Ce3+ nanocrystals originating from cerium ions substituting 9- and 7-oxygen-coordinated cation sites. Preferential substitution of larger cation sites by cerium ions leads to higher photoluminescence intensity of Ce1 centers, however, Ce2 centers are the main centers for electron-hole recombination, so only Ce2 band is observed in X-ray luminescence spectra. The features of oxygen coordination of Ce1 and Ce2 centers and high content of oxygen vacancies in Re2SiO5:Ce3+ nanocrystals can provide preferential trapping of electrons near Ce2 centers, and therefore, the dominant role of Ce2 band in X-ray luminescence spectra.

Zur Kristallstruktur von SrLaNiO4 / On the Crystal Structure of SrLaNiO4

1979 ◽  
Vol 34 (3) ◽  
pp. 378-379 ◽  
Author(s):  
H. Pausch ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Laser Radiation ◽  
X Ray ◽  
Pressure Method ◽  
Oxygen Coordination ◽  
High Oxygen Pressure ◽  
Geometrical Effect ◽  
Octahedral Oxygen ◽  
Group D ◽  
Octahedral Distortion

Abstract Single crystals of SrLaNiO4 were prepared with a new high temperature and high oxygen pressure method (CO2-Laser radiation). The X-ray investigation shows, that this compound belongs to the K2NiF4-type (a - 381.3; c = 1268.7 pm; space group D174h-I4/mmm), with a stretched octahedral oxygen coordination around Ni3+. The octahedral distortion can only be explained by a geometrical effect.

Multianvil High-Pressure Synthesis And Crystal Structure Of β-YbBO3

2001 ◽  
Vol 56 (8) ◽  
pp. 697-703 ◽  
Author(s):  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Title Compound ◽  
Variable Parameters ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Oxygen Coordination ◽  
Distorted Octahedral ◽  
Pressure Synthesis ◽  
Octahedral Oxygen

β-Ytterbium borate (β-YbBO3) was synthesized under high-pressure in a Walker-type multianvil apparatus at 2.2 GPa and 1400 °C. The title-compound crystallizes in the trigonal calcite structure, space group R3̄̄c. Single crystal X-ray data yielded a = 492.1(2), c = 1630.5(9) pm, wR2 = 0.0344 for 165 F2 values and 11 variable parameters. Within the trigonal planar BO3 groups the B-O distance is 137.8(4) pm. The ytterbium atoms have a slightly distorted octahedral oxygen coordination (Yb-O: 224.4(2) pm)

The crystal structure of Görgeyite K2SO4 · 5 CaSO4 H2O

1980 ◽  
Vol 151 (1-2) ◽  
Author(s):  
G. W. Smith ◽  
R. Walls
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Atom ◽  
Water Molecule ◽  
Potassium Atom ◽  
Calcium Atom ◽  
Oxygen Coordination ◽  
Oxygen Atoms

AbstractThe crystal structure of the mineral görgeyite, KTwo independent calcium atoms, one of which sits on the diad axis, are nine-fold coordinated by oxygen atoms in a closely similar arrangement, with average Ca–O distances of 2.52 Å in the range 2.40–2.68 Å. A third calcium atom is eight-fold coordinated with a mean Ca–O distance of 2.46 Å in a range of 2.37–2.64 Å.The potassium atom is also eight-fold coordinated. The three independent sulphate ions are approximately regular with mean S–O distances of 1.472(8), 1.477(27), and 1.470(7) Å respectively but their behaviour in providing oxygen coordination is different for each. The hydrogen atom of the water molecule has not been positively located though it is likely that a hydrogen bond is present.

High-pressure Synthesis and Crystal Structure of the Vanadium Orthoborate VBO3

2008 ◽  
Vol 63 (6) ◽  
pp. 713-717 ◽  
Author(s):  
Almut Haberer ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Oxygen Coordination ◽  
High Pressure High Temperature ◽  
Distorted Octahedral ◽  
Pressure Synthesis ◽  
Octahedral Oxygen

The vanadium orthoborate VBO3 was synthesized under high-pressure / high-temperature conditions of 7.5 GPa and 1250 °C in a Walker-type multianvil apparatus. The crystal structure was determined on the basis of single crystal X-ray diffraction data, collected at r. t. The title compound crystallizes in the trigonal calcite structure, space group R3̄c, with the lattice parameters a = 462.0(1) and c = 1450.9(3) pm. Within the trigonal planar BO3 groups, the B-O distance is 138.8(3) pm. The vanadium atoms have a slightly distorted octahedral oxygen coordination (V-O: 202.3(2) pm).

Indium partiell in tetraedrischer Sauerstoffkoordination in BaIn2Zn3O7. Eine Betrachtung zum Ba2Ln2Zn8O13/BaLnAlZn3O7 -Typ / Partial Tetrahedral Oxygen Coordination of Indium in BaIn2Zn3O7. A Consideration of the Ba2Ln2Zn8O13/BaLnAlZn3O7 Type

1998 ◽  
Vol 53 (5-6) ◽  
pp. 517-520 ◽  
Author(s):  
O. Sfreddo ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Solid State Reaction ◽  
Hexagonal Symmetry ◽  
X Ray ◽  
Lattice Constants ◽  
Oxygen Coordination ◽  
Symmetry Space ◽  
Related Compounds ◽  
Symmetry Space Group

Abstract Single crystals of BaIn2Zn3O7 have been prepared by solid state reaction and crystallization from flux. X-ray investigations led to hexagonal symmetry, space group C46v-P63mc, lattice constants a = 6.342(1), c = 10.282(1) Å, Z = 2. BaIn2Zn3O7 shows tetrahedral positions statistically occupied by In3+ and Zn2+. The crystal structure is isotypic to Ba2Ln2Zn8O13 and BaLnAlZn3O7. A discussion of the related compounds is given.

Intramolecular ether oxygen coordination in the zinc complexes with dipicolylamine (DPA)-derived ligands

2011 ◽  
Vol 370 (1) ◽  
pp. 420-426 ◽  
Author(s):  
Yuji Mikata ◽  
Tomomi Fujimoto ◽  
Tomomi Fujiwara ◽  
Shin-ichi Kondo
Keyword(s):  
Zinc Complexes ◽  
Oxygen Coordination ◽  
Ether Oxygen
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