scholarly journals Synthesis, Crystal Structure, and Comparative Study of a New Organic Material 3,4-Diaminobenzophenone Semihydrate

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
Tarek Ben Rhaiem ◽  
Habib Boughzala ◽  
Ahmed Driss
Keyword(s):  
Crystal Structure ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Structural Components ◽  
Dimensional Network ◽  
Cell Dimensions ◽  
Ft Ir ◽  
The Fourier Transform ◽  
Unit Cell Dimensions ◽  
Ft Ir Spectroscopy

The new organic 3,4-diaminobenzophenone semihydrate (34ABPH) is grown by slow evaporation method. The compound crystallizes in the monoclinic space group: C2. The unit cell dimensions are (8) Å, (2) Å, (10) Å, andβ = 99.40 (2)° with . The crystal structure analysis reveals that the C13H12N2O molecules chains are organized into a double ribbon in the (b,c) plane. The structural components interact by N–H⋯O and O–H⋯O hydrogen bonds, building up a two-dimensional network. The presence of functional groups in the molecular structure is confirmed by the Fourier transform infrared (FT-IR) spectroscopy. Thermogravimetric analysis (TGA) confirms the presence of the water molecule.

Crystal and Molecular Structure of Cycasin, (Z)-β-D-Glucopyranosyloxy-NNO-azoxymethane

1995 ◽  
Vol 48 (5) ◽  
pp. 1059 ◽  
Author(s):  
ME Tate ◽  
IM Delaere ◽  
GP Jones ◽  
ERT Tiekink
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Cell Dimensions ◽  
Cycas Revoluta ◽  
Unit Cell Dimensions

Characterization of cycasin , (Z)-β-D-glucopyranosyloxy-NNO-azoxymethane, from Cycas revoluta Thunb . is reported. A crystal structure analysis shows the azoxy substituents adopt a Z configuration. The colourless crystals are monoclinic, space group C2 with unit cell dimensions a 15.409(4), b 4.855(4), c 15.752(4) Ǻ, β 109.87(2)°, Z 4; the structure was refined to final R 0.033, 886 reflections with I ≥ 3.0σ(I) being used.

scholarly journals The reaction of 3,5-diphenyl-1,2-dithiolium-4-olate with aniline: the crystal structure of 1-phenylimino-2-phenylamino-3-phenylindene

1987 ◽  
Vol 65 (12) ◽  
pp. 2830-2833 ◽  
Author(s):  
David M. McKinnon ◽  
Peter D. Clark ◽  
Robert O. Martin ◽  
Louis T. J. Delbaere ◽  
J. Wilson Quail
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

3,5-Diphenyl-1,2-dithiolium-4-olate (1) reacts with aniline to form 1-phenylimino-2-phenylamino-3-phenylindene (3a). Under suitable conditions, 6-phenylbenzo[b]indeno[1,2-e]-1,2-thiazine is also formed. These structures are confirmed by alternative syntheses. The molecular structure of 3a has been determined by single crystal X-ray diffraction. Compound 3a crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 20.777(3) Å, b = 6.130(3) Å, c = 31.327(3) Å, 3 = 99.59(1)°, and Z = 8. The structure was solved by direct methods and refined by least squares to a final R = 0.055. The molecular structure of 3a shows the three phenyl containing substituents to have the planes of their ring systems tilted between 40° and 60° from the plane of the indene system due to steric repulsions.

Crystal structures of phenacylkojate (2-(hydroxymethyl)-5-phenacyloxy-4H-pyran-4-one) and its complex with sodium chloride: bis(phenacylkojate)sodium chloride

1976 ◽  
Vol 54 (17) ◽  
pp. 2723-2732 ◽  
Author(s):  
Simon E. V. Phillips ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Sodium Chloride ◽  
Potassium Iodide ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Hydroxyl Groups ◽  
Space Group ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Iodide Complex

The structures of the title compounds have been determined by three dimensional X-ray crystal structure analysis.Crystals of anhydrous phenacylkojate are monoclinic, space group P21/c, with unit cell dimensions a = 9.087(4), b = 11.764(3), c = 12.714(4) Å, β = 116.57(2)°, Z = 4. The structure was solved by direct methods and refined by full-matrix least-squares to R = 0.044 for 1225 independent diffractometer observations. The crystal structure is held together by hydrogen bonding between carbonyl and hydroxyl groups and [Formula: see text] interactions.Crystals of the sodium chloride complex are monoclinic, space group C2/c, with unit cell dimensions a = 11.3714(6), b = 15.796(1), c = 14.487(1) Å, β = 97.241(5)°, Z = 4. The structure was solved by heavy atom and Fourier methods and comparison with the previously determined structure of the potassium iodide complex. It was refined to R = 0.040 for 1670 independent diffractometer observations. The structure closely resembles that of the potassium iodide complex (P21/n), but in C2/c, the alkali metal ion being eight co-ordinate in each. Na+—O distances are in the range 2.558–2.674 Å and the [Formula: see text] hydrogen bonded distance is 3.266 Å.

Investigation of the Variation of Unit Cell Dimensions of Crystalline Polymers with High-Resolution FT-IR Spectroscopy

2005 ◽  
Vol 26 (11) ◽  
pp. 895-898 ◽  
Author(s):  
Zhiqiang Su ◽  
Ying Zhao ◽  
Ning Kang ◽  
Xiuqin Zhang ◽  
Yizhuang Xu ◽  
...  
Keyword(s):  
High Resolution ◽  
Ir Spectroscopy ◽  
Unit Cell ◽  
Crystalline Polymers ◽  
Cell Dimensions ◽  
Ft Ir ◽  
Unit Cell Dimensions ◽  
Ft Ir Spectroscopy

Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2H)-one derivatives as protein–tyrosine kinase (PTK) inhibitors

2017 ◽  
Vol 73 (11) ◽  
pp. 1003-1009 ◽  
Author(s):  
Ning Li ◽  
Binrong Yao ◽  
Chunhua Wang ◽  
Qingguo Meng ◽  
Guige Hou
Keyword(s):  
Crystal Structure ◽  
Tyrosine Kinases ◽  
Protein Tyrosine Kinase ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
X Ray Diffraction ◽  
Protein Tyrosine ◽  
Dimensional Network ◽  
Ft Ir ◽  
Structure And Activity

Four new 3,4-dihydro-1-benzoxepin-5(2H)-one derivatives, namely (E)-4-(5-bromo-2-hydroxybenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (7), (E)-4-[(E)-3-(5-bromo-2-hydroxyphenyl)allylidene]-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (8), (E)-4-(5-bromo-2-hydroxybenzylidene)-6-hydroxy-8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C18H15BrO5, (9), and (E)-4-[(E)-3-(5-bromo-2-hydroxyphenyl)allylidene]-6-hydroxy-8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (10), have been synthesized and characterized by FT–IR, NMR and MS. The structure of (9) was confirmed by single-crystal X-ray diffraction. Crystal structure analysis shows that molecules of (9) are connected into a one-dimensional chain in the [010] direction through classical hydrogen bonds and these chains are further extended into a three-dimensional network via C—H...O interactions. The inhibitory activities of these compounds against protein–tyrosine kinases (PTKs) show that 6-hydroxy-substituted compounds (9) and (10) are more effective for inhibiting ErbB1 and ErbB2 than are 6-methoxy-substituted compounds (7) and (8). This may be because (9) and (10) could effectively bind to the active pockets of the protein through intermolecular interactions.

scholarly journals Synthesis, spectroscopic characterization, crystal structure and antifungal activity of thiourea derivatives containing a thiazole moiety

2010 ◽  
Vol 8 (3) ◽  
pp. 550-558 ◽  
Author(s):  
Sohail Saeed ◽  
Naghmana Rashid ◽  
Peter Jones ◽  
Rizwan Hussain ◽  
Moazzam Bhatti
Keyword(s):  
Crystal Structure ◽  
Antifungal Activity ◽  
Spectroscopic Characterization ◽  
Dilution Method ◽  
Monoclinic Space Group ◽  
Fragmentation Pattern ◽  
Thiourea Derivatives ◽  
Cell Dimensions ◽  
Intramolecular Hydrogen ◽  
Unit Cell Dimensions

AbstractFour novel thiourea derivatives containing a thiazole moiety were synthesized and characterized by IR, 1H and 13C NMR, mass spectrometry and elemental analysis. The crystal structure of 1a was determined from single crystal X-ray diffraction data. It crystallizes in monoclinic space group P21/n with unit cell dimensions a = 11.7752(6) Å, b= 3.8677(2) Å, c= 27.4126(13) Å and β = 92.734(5) Å. There is a strong intramolecular hydrogen bond of the type N-H⋯O, with H⋯O distance of 2.5869(19) Å. The mass fragmentation pattern has also been discussed. The antifungal activity of the synthesized compounds was studied by broth micro-dilution method and poisoned food technique. The compounds 1b and 1c possessed a broad spectrum of antifungal activity.

The First Molecular Complex Containing Two Azoarenes. The Crystal Structure of Decafluoroazobenzene/Azomesitylene (1 : 1)

1989 ◽  
Vol 42 (5) ◽  
pp. 741 ◽  
Author(s):  
MI Bruce ◽  
ERT Tiekink
Keyword(s):  
Crystal Structure ◽  
Molecular Complex ◽  
Title Compound ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Vertical Separation ◽  
Full Matrix ◽  
Crystal And Molecular Structures ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The crystal and molecular structures of the title compound, C12F10N2.C18H22H2,are reported. The crystal structure is comprised of stacks of alternate decafluoroazobenzene and azomesitylene molecules with the vertical separation between successive molecules being approximately 3.42 � . The stacks are aligned so that the azobenzene molecules of one stack are adjacent to the azomesitylene molecules of the neighbouring stacks; there are no significant intercolumn contacts. Crystals are monoclinic, space group P21/n with unit cell dimensions a 7.197(2), b 15.432(3), c 12.513(3) � , β 96.33(2)� , and Z 2. The structure was refined by a full-matrix least-squares procedure to final R 0.059 for 915 reflections for which 1 ≥ 3.O σ(I).

Crystal structure determination of new compounds Li6MB3O9 (M=Nd,Sm,Eu,Tm,Er)

2008 ◽  
Vol 23 (1) ◽  
pp. 3-9 ◽  
Author(s):  
Y. F. Lou ◽  
W. Y. Wang ◽  
G. M. Cai ◽  
Y. P. Sun ◽  
C. Wang
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Crystal Structure Analysis ◽  
X Ray Diffraction ◽  
Space Group ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
New Compounds

New compounds Li6MB3O9 (M=Nd,Sm,Eu,Tm,Er) were synthesized by solid-state reaction. The crystal structure of Li6NdB3O9 was analyzed from both powder and single crystal X-ray diffraction data. The results obtained by powder diffraction analysis and Rietveld refinement are a=7.2725(4) Å, b=16.6398(9) Å, c=6.7529(5) Å, β=105.398(8)°, and space group P21/c, which agree with the results obtained by single crystal diffraction analysis: a=7.2712(4) Å, b=16.6268(9) Å, c=6.7484(4) Å, β=105.411(1)°, and space group P21/c. This compound is isostructural with Li6YB3O9. Single crystal structure analysis showed that the fundamental building unit of these isostructural compounds comprises three isolated [BO3]3− triangles, one distorted [NdO8]13− triangulated dodecahedron, four distorted [LiO5]9− five-coordinated polyhedra, and two [LiO4]7− tetrahedron. An analysis of the infrared spectrum of Li6NdB3O9 confirmed the presence of isolated [BO3]3− triangles in Li6NdB3O9. The remaining four Li6MB3O9 (M=Nd, Sm, Eu, Tm, and Er) compounds were found to be isostructural with Li6NdB3O9. Their unit cell dimensions decrease with an increase in the atomic number of the rare-earth atoms. DTA and TGA measurements of Li6MB3O9 (M=Nd, Sm, Eu, Tm, and Er) revealed that these borates congruently melt from 800 °C to 860 °C.

scholarly journals Synthesis and Crystal Structure of 3-3’-Diaminomethyldipropylammonium Hexachlorobismuthate (III)

2016 ◽  
Vol 8 (1) ◽  
pp. 1500-1507
Author(s):  
Yosra Baklouti ◽  
Abdelaziz Koumina ◽  
Mohamed Fliyou ◽  
Fatma Zouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Synthesis And Crystal Structure ◽  
Organic Layers ◽  
Triclinic System ◽  
Dimensional Network ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Synthesis and crystal structure of 3-3’-diamino-N-methyldipropylammonuim hexachlorobismuthate (III) are reported. The compound crystallizes in the triclinic system with space group P1. The unit cell dimensions are:             a = 7.5580(5), b =7.8710(6), c = 8.3709(7) Å with Z=1. The crystal is built up of separated [BiCl6]3- octahedral anions and 3-3’-diamino-N- methyldipropylammonium cations. The organic layers are arranged in sandwich between the anionic ones. The crystal packing is governed by means of the ionic   N–H···Cl hydrogen bonds, forming a three dimensional network.

Crystal structure of diethylammonium tetrachloro(p-phenoxyphenyl)tellurate

1984 ◽  
Vol 62 (1) ◽  
pp. 32-35 ◽  
Author(s):  
Raj K. Chadha ◽  
John E. Drake ◽  
Masood A. Khan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Heavy Atom ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Secondary Interaction ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Heavy Atom Method ◽  
Interionic Hydrogen

The crystal structure of diethylammonium tetrachloro(p-phenoxyphenyl)tellurate has been determined by the heavy atom method. The crystals are monoclinic, space group C2/c, with unit cell dimensions a = 19.675(5), b = 7.634(3), c = 28.716(6) Å, β = 105.58(2)°, and Z = 8. For 2636 "observed" reflections (I > 3σ(I)), R = 0.030. The primary geometry about tellurium is based on a square pyramid with a secondary interaction on the vacant side of the tellurium coordination octahedron. The ions are apparently linked by weak interionic hydrogen bonding along the crystallographic b axis.

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