Study on a Novel Structure of C21H9Ba2SrN3O12

2013 ◽  
Vol 834-836 ◽  
pp. 494-499
Author(s):  
Hai Xing Liu ◽  
Qing Liu ◽  
Xiao Ping Zhang ◽  
Quan Hua Fan ◽  
Lin Tong Wang ◽  
...  
Keyword(s):  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
Hydrogen Bonding Interaction ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Compound C ◽  
Novel Structure ◽  
Bonding Interaction

In the title compound, C21H9Ba2N3O12Sr, is prepared from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The compound crystallize in Monoclinic, system with space group and cell parameters, C2/c, a=22.668 Å, b=10.937 Å, c=9.05 Å, α=γ=90°, β=90.582°, V=2243.6 Å3. The crystal packing is stabilized by O-H...O and O-H...N hydrogen bonding interaction.

Study on a Novel Structure of Zn Phenanthroline Malic Acid Hydrate, [Zn (C12H8N2)(C4H4O5)(H2O)](H2O)

2013 ◽  
Vol 739 ◽  
pp. 26-29
Author(s):  
Hai Xing Liu ◽  
Jing Zhong Xiao ◽  
Huan Mei Guo ◽  
Qing Hua Zhang ◽  
Zhang Xue Yu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Malic Acid ◽  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
Acid Anion ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Novel Structure ◽  
Acid Hydrate

A novel Zn complex [Zn (C12H8N2)(C4H4O5)(H2O)](H2O) has been synthesized from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Zn atom is six-coordinated by two phenanthroline N atoms, three O atoms from malic acid anion and one O atom from water. The crystal packing is stabilized by O-H...O hydrogen bonding interactions.

Study on Novel Structure of Praseodymium Complex, C5H13O11Pr

2013 ◽  
Vol 834-836 ◽  
pp. 515-518
Author(s):  
Hai Xing Liu ◽  
Qing Liu ◽  
Ting Ting Huang ◽  
Yang Xu ◽  
Lin Tong Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Novel Structure ◽  
Praseodymium Complex

A novel praseodymium complex C5H13O11Pr has been synthesized from hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Pr1 atom is nine coordinated by nine O atoms. The crystal packing is stabilized by O-H...O hydrogen bonding interactions.

scholarly journals SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF THE 1:1 PROTON TRANSFER SALT OF MALONIC ACID WITH P-CHLOROANILINE

2017 ◽  
Vol 14 (28) ◽  
pp. 66-71
Author(s):  
Gerson E. DELGADO ◽  
Lusbely BELANDRIA ◽  
Asiloé J. MORA ◽  
Julia BRUNO-COLMENÁREZ ◽  
Gustavo MARROQUÍN
Keyword(s):  
Hydrogen Bonds ◽  
Malonic Acid ◽  
Crystal Packing ◽  
Chemical Properties ◽  
Supramolecular Assembly ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters

The design of multicomponent crystals offers a means to modify the physicochemical properties of crystals without altering the chemical properties of a particular molecule. In this study, a multicomponent crystal, the salt of malonic acid with p-chloroaniline, was synthetized and structurally characterized. The title compound wasprepared by grinding in an agate mortar, and its structure was studied by powder and single-crystal X-ray diffraction. This compound crystallize in the monoclinic system with space group P21/c, Z = 4, and unit cell parameters a = 12.9776(7)Å, b = 9.2308(5)Å, c = 8.5170(5)Å, β = 93.474(3)°. The multicomponent compound, p-chloroanilinium semi-malonate, can be described as an ionic ensemble assisted by hydrogen bonds established between p-chloroanilinium cations and semi-malonate anions. The molecular structure and crystal packing are stabilized mainly by intermolecular O-H•••O and N-H•••O hydrogen bonds interactions. The molecules construct a supramolecular assembly with a two-dimensional hydrogen bonded network along the ca plane.

Structural Study of a new Compound Based on Acid 1,4-Cyclohexanedicarboxylic (1,4-CDC)

2010 ◽  
Vol 6 (1) ◽  
pp. 891-896
Author(s):  
Manel Halouani ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Cyclohexanedicarboxylic Acid

One nickel 1,4-cyclohexanedicarboxylate coordination polymers, Ni2 [(O10C6H4)(COO)2].2H2O  (I), was hydrothermally synthesized from an aqueous solution of Ni (NO3)2.6H2O, (1,4-CDC) (1,4-CDC = 1,4-cyclohexanedicarboxylic acid) and tetramethylammonium nitrate. Compound (I) crystallizes in the monoclinic system with the C2/m space group. The unit cell parameters are a = 20.1160 (16) Å, b = 9.9387 (10) Å, c = 6.3672 (6) Å, β = 97.007 (3) (°), V= 1263.5 (2) (Å3) and Dx= 1.751g/cm3. The refinement converged into R= 0.036 and RW = 0.092. The structure, determined by single crystal X-ray diffraction, consists of two nickel atoms Ni (1) and Ni (2). Lots of ways of which is surrounded by six oxygen atoms, a carboxyl group and two water molecules.

scholarly journals Synthesis, structure, semiconductive and photoluminescent properties of [{Eu(NC5H4COOH)3(H2O)2}(1.5ZnCl4)·(2H2O)]n

2009 ◽  
Vol 74 (7) ◽  
pp. 755-764 ◽  
Author(s):  
Wen-Tong Chen ◽  
Xiao-Niu Fang ◽  
Qiu-Yan Luo ◽  
Ya-Ping Xu
Keyword(s):  
Hydrothermal Reaction ◽  
Isonicotinic Acid ◽  
Luminescence Spectra ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
One Dimensional ◽  
X Ray ◽  
Organic Hybrid ◽  
Hybrid Complex ◽  
A Cell

A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex [{Eu(NC5H4COOH)3(H2O)2}(1.5ZnCl4)?(2H2O)]n (1) was synthesized via a hydrothermal reaction and structurally characterized by single- crystal X-ray diffraction. Complex 1 crystallizes in the space group C2/c of the monoclinic system with eight formula units in a cell: a = 23.878(8) ?, b = 20.573(6) ?, c = 15.358(5) ?, ? = 127.276(5)?, V = 6003(3) ?3, C18H23Cl6EuN3O10Zn1.5, Mr = 904.11 g/mol, ? = 2.001 g/cm3, S = 1.077, ?(MoK?) = 3.846 mm-1, F(000) = 3536, R = 0.0270 and wR = 0.0672. Complex 1 has a characteristic, one-dimensional polycationic chain-like structure. A photoluminescent investigation revealed that the title complex displays intense emissions in the orange and red regions. The luminescence spectra show that the red emission is stronger than the orange emission. Optical absorption spectra of 1 revealed the presence of an optical gap of 3.56 eV.

Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals

2015 ◽  
Vol 71 (3) ◽  
pp. 285-292 ◽  
Author(s):  
M. Rajasekar ◽  
K. Muthu ◽  
A. Aditya Prasad ◽  
R. Agilandeshwari ◽  
SP Meenakshisundaram
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Morphological Changes ◽  
Strong Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters

Single crystals of molybdenum-incorporated tris(thiourea)zinc(II) sulfate (MoZTS) are grown by the slow evaporation solution growth technique. Crystal composition as determined by single-crystal X-ray diffraction analysis reveals that it belongs to the orthorhombic system with space groupPca21and cell parametersa= 11.153 (2),b= 7.7691 (14),c= 15.408 (3) Å,V= 1335.14 (4) Å3andZ= 4. The surface morphological changes are studied by scanning electron microscopy. The vibrational patterns in FT–IR are used to identify the functional group and TGA/DTA (thermogravimetric analysis/differential thermal analysis) indicates the stability of the material. The structure and the crystallinity of the material were confirmed by powder X-ray diffraction analysis and the simulated X-ray diffraction (XRD) closely matches the experimental one with varied intensity patterns. The band gap energy is estimated using diffuse reflectance data by the application of the Kubelka–Munk algorithm. The relative second harmonic generation (SHG) efficiency measurements reveal that MoZTS has an efficiency comparable to that of tris(thiourea)zinc(II) sulfate (ZTS). Hirshfeld surfaces were derived using single-crystal X-ray diffraction data. Investigation of the intermolecular interactions and crystal packingviaHirshfeld surface analysis reveal that the close contacts are associated with strong interactions. Intermolecular interactions as revealed by the fingerprint plot and close packing could be the possible reasons for facile charge transfer leading to SHG activity.

Synthesis and X-ray diffraction data of 2-ethyl-6-(pyridin-4-yl)-7H-indeno[2,1-c]quinoline

2013 ◽  
Vol 29 (1) ◽  
pp. 53-57
Author(s):  
H.A. Camargo ◽  
A. Sánchez ◽  
J.A. Henao ◽  
Arnold R. Romero Bohórquez ◽  
Vladimir V. Kouznetsov
Keyword(s):  
Elemental Sulfur ◽  
Cycloaddition Reaction ◽  
Unit Cell ◽  
Gas Chromatography Mass Spectrometry ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Xrpd Pattern

The compound 2-ethyl-6-(pyridin-4-yl)-7H-indeno[2,1-c]quinoline (2) (chemical formula C23H22N2) was synthesized through the free-solvent oxidation reaction mediated by elemental sulfur from the corresponding 2-ethyl-6-(pyridin-4-yl)-5,6,6a,11b-tetrahidro-7H-indeno[2,1-c]quinoline (1), an adduct easily obtained, using the Lewis acid-promoted [4 + 2] cycloaddition reaction. Preliminary molecular characterization was performed by Fourier transform-infrared and gas chromatography-mass spectrometry. The X-ray powder diffraction (XRPD) pattern for the title compound was analyzed and found to be crystallized in monoclinic system, space groupP21/n(N° 14) with refined unit-cell parametersa = 20.795 (8) Å,b = 7.484 (2) Å,c = 10.787 (2) Å andß = 93.96° (2). The volume of the unit cell isV = 1674.8 (6) Å3.

Study on a Novel Structure of Yttrium Complex, C4H10O10Y

2013 ◽  
Vol 785-786 ◽  
pp. 424-427
Author(s):  
Hai Xing Liu ◽  
Qing Hua Zhang ◽  
Zhang Xue Yu ◽  
Quan Hua Fan ◽  
Ting Ting Huang ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Hydrothermal Reaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Novel Structure

The Y complex C4H10O10Y has been synthesized from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Y atom is coordinated by nine O atoms. The molecular structure stabilized by the O-H…O hydrogen-bonding interactions.

Study on Novel Structure of Potassium Borate Hydrate: K(H4B5O10)·2(H2O)

2012 ◽  
Vol 531-532 ◽  
pp. 409-412
Author(s):  
Hai Xing Liu ◽  
Fang Fang Jian ◽  
Jing Wang ◽  
Guang Zeng ◽  
Hui Juan Yue ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Crystallographic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Potassium Borate ◽  
Polyhydroxy Compounds ◽  
Novel Structure ◽  
Solution Reaction

Numerous stable complexes of boric acid with polyhydroxy compounds, including tartaric, salicylic, citric, malic, and other acids, are known. The structure of some compounds contains polyanion. In this paper, a novel potassium borate hydrate [K(H4B5O10) •2(H2O)] has been synthesized from a solution reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. Orthorhombic, Aba2. a = 11.0781(14) Å b = 11.1780(15) Å c = 9.0508(11) Å α=β=γ=90°. V= 1120.8(2) Å3. Z=4. Rgt = 0.0244, wRref = 0.0623. T= 298 K. The crystal packing is stabilized by O-H...O hydrogen bonds interaction and three dimensional framwork structure is formed. The work is originality and has a new crystallographic structure shape.

The Study and Characterization of a Novel Structure of 1,3,5-Benzenetricarboxylic Acid

2013 ◽  
Vol 830 ◽  
pp. 202-206
Author(s):  
Hai Yan Tan ◽  
Cheng Liu ◽  
Jin Ping Wu
Keyword(s):  
Relevant Information ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Novel Structure ◽  
Ft Ir ◽  
Benzenetricarboxylic Acid ◽  
The Stability ◽  
Lamella Structure

A novel ten-interpenetrating structure of 1,3,5-benzenetricarboxylic acid was grown under solvothemal condition after heated it 16 hours. It was characterized by FT-IR, HNMR, X-ray diffraction, HRTEM. HRTEM obtain the relevant information of structural morphologies. The result of HRTEM showsed this material owned special lamella structure. X-ray diffraction showed the crystal of the new structure is of monoclinic system, space groupP1 with a=26.5039(17), b=16.4121(17),c=26.550(2)Å,α=90.00, β=91.533(2), γ=90.00, V=11544.4(17)Å3, Z=8, Dc=1.451g/cm3,μ=0.126mm-1,F(000)=5184, R=0.0891 and w (R)=0.1819 for 11318 observed reflection with I>2(I),hydrogen bond contributed to the stability of the structure. The fluorescence spectra indicated that the title compound had two stronger emission peak at 346nm and 400nm. Keywords:1, 3, 5-benzenetricarboxylic acid; novel structure; ten-interpenetrating

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