scholarly journals Synthesis and crystal structure of 1-ethyl-3-(phenyl)-1,2,3-triazolium percholorate

2003 ◽  
Vol 1 (4) ◽  
pp. 477-490
Author(s):  
Beeranahally Doreswamy ◽  
Madegowda Mahendra ◽  
Sridhar Anandalwar ◽  
Javaregowda Prasad ◽  
Kempegowda Mantelingu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structural Type ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Nitrenium Ions ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
X Ray Crystallography

AbstractThe isolation of stable carbenes of the Arduengo (1a) and Wanzlick (2a) type has prompted us to look for stable nitrenium ions of the related structural type 1-ethyl-3-(phenyl)-1,2,3-triazolium perchlorate (6+). The title compound C10H14Cl N3O4 was isolated and structure was investigated by X-ray crystallography. It crystallizes in the monoclinic space group P21/c with cell parameters a=6.697(4) Å, b=9.724(9) Å, c=19.844(2) Å and Z=4. The final residual factor is R1=0.0471 for 1545 reflections with I>2σ(I). The structure exhibits intermolecular hydrogen bonds.

scholarly journals Synthesis and Crystal Structure of Unexpected (1S,4R,5R,6S)-4-Cyano-2,2,6-trimethyl-3-azabicyclo[3.3.1]nonan-6-yl Acetate

2017 ◽  
Vol 70 (12) ◽  
pp. 1269
Author(s):  
Steven Gareth Williams ◽  
Mohan Bhadbhade ◽  
Roger Bishop ◽  
Alison Thavary Ung
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
High Resolution Mass Spectrometry ◽  
Unit Cell Parameters ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
X Ray Crystallography ◽  
Ir And Nmr Spectroscopy ◽  
Resolution Mass

The reaction of (–)-β-pinene with KCN under a mild bridged Ritter reaction gave (1S,5R,6S)-2,2,6-trimethyl-3-aza-bicyclo[3.3.1]non-3-en-6-yl acetate that subsequently reacted to provide an unexpected (1S,4R,5R,6S)-4-cyano-2,2,6-trimethyl-3-azabicyclo[3.3.1]nonane-6-yl acetate. The structure of the compound was determined by high-resolution mass spectrometry, and IR and NMR spectroscopy and confirmed by single crystal X-ray crystallography. The compound crystallises in the monoclinic P21 space group, with unit cell parameters a 8.6120 (17), b 7.4570 (15), c 11.189 (2) Å, and β 110.16 (3)°.

scholarly journals Synthesis and Crystal Structure of 6-Bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4,5-b]pyridine

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Youssef Kandri Rodi ◽  
Santiago V. Luis ◽  
Inés Martí ◽  
Vicente Martí-Centelles ◽  
Younès Ouzidan
Keyword(s):  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Crystal Packing ◽  
Molecular Geometry ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
Primary Focus

The crystal and molecular structure of 6-bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4,5-b]pyridine (C13H8BrN3O) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate the molecular geometry of this compound in the solid state along with the associated intermolecular hydrogen bonding and relatedπ-πinteractions present in the crystal packing. This compound crystallizes in the monoclinic space groupP21/nwith cell parameters:a= 4.39655(19) Å,b= 13.5720(5) Å,c= 20.0471(5) Å,β= 94.753(3),V= 1192.10(7) Å3,D= 1.683 g·cm−3, andZ= 4. The crystal structure is stabilized byπ-πinteractions and intermolecular C–H⋯N and C–H⋯O interactions.

scholarly journals Synthesis and spectroscopic properties of geminal-bis(tertbutylamino) phosphazenes obtained by the reaction of spiro and ansa phenoxyphosphazenes with the tert-butylamine and the crystal structure of 2,2-[2,2’-metheylenebis(4-chlorophenoxy)]-4,4-bis(tert-butylamino)-6,6-dichlorocyclo- 2λ5,4λ5,6λ5-triphosphazatriene

2011 ◽  
Vol 76 (6) ◽  
pp. 831-840
Author(s):  
Diğdem Erdener ◽  
Mustafa Yildiz ◽  
Hüseyin Ünver ◽  
Ocak İskeleli ◽  
Nuri Durlu
Keyword(s):  
Crystal Structure ◽  
31P Nmr ◽  
Spectroscopic Properties ◽  
Monoclinic Space Group ◽  
Spectroscopic Techniques ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
X Ray Crystallography ◽  
Tert Butylamine

The condensation reactions of partly substituted spiro and ansa phenoxycyclotriphosphazenes, N3P3[2,2'-methylenebis(4-chlorophenoxide)]Cl4 (1 and 2) with tert-butylamine produce disubstituted geminal-bis(tert-butylamino)phenoxyphosphazene derivatives (3 and 4). The structures of these compounds were characterized by elemental analysis, and IR, 1H-, 13C-, 31P-NMR and mass spectroscopic techniques. Compound 3 was also examined by X-ray crystallography and found to be crystallized in the monoclinic space group P21/n with the unit cell parameters: a = 10.842(4), b = 9.375(5), c = 29.104(11) ?, ? = 99.25(3)?, V = 2920(2) ?3, Dx = 1.404 g cm-3.

Triazene derivatives of (1,x-)diazacycloalkanes. Part VI. 3-({5,5-Dimethyl-3-[2-aryl-1-diazenyl]-1-imidazolidinyl}methyl)-4,4-dimethyl-1-[2-aryl-1-diazenyl]imidazolidines — Synthesis, characterization, and X-ray crystal structure

2006 ◽  
Vol 84 (10) ◽  
pp. 1294-1300 ◽  
Author(s):  
Keith Vaughan ◽  
Shasta Lee Moser ◽  
Reid Tingley ◽  
M Brad Peori ◽  
Valerio Bertolasi
Keyword(s):  
Crystal Structure ◽  
Significant Degree ◽  
Ion Trapping ◽  
Published Data ◽  
X Ray ◽  
X Ray Crystallography ◽  
Diazonium Ion ◽  
Derivatives Of ◽  
C Nmr

Reaction of a series of diazonium salts with a mixture of formaldehyde and 1,2-diamino-2-methylpropane affords the 3-({5,5-dimethyl-3-[2-aryl-1-diazenyl]-1-imidazolidinyl}methyl)-4,4-dimethyl-1-[2-aryl-1-diazenyl]imidazolidines (1a–1f) in excellent yield. The products have been characterized by IR and NMR spectroscopic analysis, elemental analysis, and X-ray crystallography. The X-ray crystal structure of the p-methoxycarbonyl derivative (1c) establishes without question the connectivity of these novel molecules, which can be described as linear bicyclic oligomers with two imidazolidinyl groups linked together by a one-carbon spacer. This is indeed a rare molecular building block. The molecular structure is corroborated by 1H and 13C NMR data, which correlates with the previously published data of compounds of types 5 and 6 derived from 1,3-propanediamine. The triazene moieties in the crystal of 1c display significant π conjugation, which gives the N—N bond a significant degree of double-bond character. This in turn causes restricted rotation around the N—N bond, which leads to considerable broadening of signals in both the 1H and 13C NMR spectra. The molecular ion of the p-cyanophenyl derivative (1b) was observed using electrospray mass spectrometry (ES + Na). The mechanism of formation of molecules of type 1 is proposed to involve diazonium ion trapping of the previously unreported bisimidazolidinyl methane (13).Key words: triazene, bistriazene, imidazolidine, synthesis, X-ray crystallography, NMR spectroscopy.

Synthesis and crystal structure of (Ag,Pd)22Se6

2013 ◽  
Vol 28 (1) ◽  
pp. 13-17 ◽  
Author(s):  
F. Laufek ◽  
A. Vymazalová ◽  
D.A. Chareev ◽  
A.V. Kristavchuk ◽  
J. Drahokoupil ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Glass Tube ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
Silica Glass Tube

The (Ag,Pd)22Se6 phase was synthesized from individual elements by silica glass tube technique and structurally characterized from powder X-ray diffraction data. The (Ag,Pd)22Se6 phase crystallizes in Fm$\overline3$m symmetry, unit-cell parameters: a = 12.3169(2) Å, V = 1862.55(5) Å3, Z = 4, and Dc = 10.01 g/cm3. The crystal structure of the (Ag,Pd)22Se6 phase represents a stuffed 3a.3a.3a superstructure of the Pd structure (fcc), where only 4 from 108 available octahedral holes are occupied. Its crystal structure is related to the Cr23C6 structure type.

Synthesis and Crystal Structure of the Lead(II) Complex with 5-Hydroxyisophthalic Acid

2013 ◽  
Vol 634-638 ◽  
pp. 451-455
Author(s):  
Yan Yang ◽  
Liu Ting Yan ◽  
Rong Huan Qin ◽  
Wen Gui Duan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Elemental Analysis ◽  
Three Dimensional ◽  
Single Crystal Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
3D Network ◽  
Hydrothermal Methods

The lead(II) Complex constructed with 5-hydroxyisophthalic acid, [Pb3(5-hipa)2]n•4H2O(1), (5-hipa = 5-hydro- xyisophthalic acid) has been synthesized by hydrothermal methods and structurally characterized by elemental analysis, IR and X-ray single crystal diffraction. In trinuclear symmetrical complex 1, Pb1 is four-coordinated, Pb2 and Pb3 are three-coordinated by 5-nitroisophthalic acid groups, respectively, which is further connected through intermolecular hydrogen bonds resulting in a three-dimensional (3D) network.

scholarly journals Synthesis, Crystal Structure, and Solubility Analysis of a Famotidine Cocrystal

Crystals ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 360 ◽  
Author(s):  
Yan Zhang ◽  
Zhao Yang ◽  
Shuaihua Zhang ◽  
Xingtong Zhou
Keyword(s):  
Crystal Structure ◽  
Malonic Acid ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
H2 Receptor Antagonist ◽  
Single Crystal Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Cell Parameters ◽  
Cocrystal Structure

A novel cocrystal of the potent H2 receptor antagonist famotidine (FMT) was synthesized with malonic acid (MAL) to enhance its solubility. The cocrystal structure was characterized by X-ray single crystal diffraction, and the asymmetry unit contains one FMT and one MAL connected via intermolecular hydrogen bonds. The crystal structure is monoclinic with a P21/n space group and unit cell parameters a = 7.0748 (3) Å, b = 26.6502 (9) Å, c = 9.9823 (4) Å, α = 90, β = 104.2228 (12), γ = 90, V = 1824.42 (12) Å3, and Z = 4. The cocrystal had unique thermal, spectroscopic, and powder X-ray diffraction (PXRD) properties that differed from FMT. The solubility of the famotidine-malonic acid cocrystal (FMT-MAL) was 4.2-fold higher than FMT; the FAM-MAL had no change in FMT stability at high temperature, high humidity, or with illumination.

Notizen: Eine neue bicyclische Zinn-Selen-Verbindung. Synthese und Kristallstruktur von [{Cp(CO)2Fe}3ClSn3Se4] / A New Bicyclic Tin Selenium Compound. Synthesis and Crystal Structure of [{Cp(CO)2Fe}3ClSn3Se4]

1993 ◽  
Vol 48 (7) ◽  
pp. 1009-1012 ◽  
Author(s):  
Kurt Merzweiler ◽  
Harald Kraus
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Selenium Compound ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Compound Synthesis

[{Cp(CO)2Fe}SnCl3] reacts with Na2Se in THF to form the compound [{Cp(CO)2Fe}3ClSn3Se4] 1. 1 crystallizes in the monoclinic space group P21/n with 4 formula units per unit cell. The lattice constants are α = 1435.2(7), b = 1124.4(4), c = 1972.7(12) pm, β = 94.59(4)°. According to the X-ray structure determination 1 contains a bicyclic Sn3Se4 framework.

Synthesis and Crystal Structure Determination of Cyclosporin H

2000 ◽  
Vol 65 (8) ◽  
pp. 1317-1328 ◽  
Author(s):  
Alexandr Jegorov ◽  
Ladislav Cvak ◽  
Aleš Husek ◽  
Petr Šimek ◽  
Anna Heydová ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Amino Acids ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Acid Catalyzed ◽  
Products Of Reaction ◽  
Cyclosporin H

Acid-catalyzed degradation of cyclosporin A was studied in various solvents and products of reaction were monitored by HPLC. Identification of amino acids and their chirality were determined after hydrolysis and derivatization by GC-MS. Cyclosporin H was isolated as the principal product and its structure was determined by X-ray diffraction: Cyclosporin H- diethyl ether-water (1 : 0.5 : 1) crystallizes in the monoclinic space group I2 with a = 12.338(2) Å, b = 18.963(2) Å, c = 34.074(3) Å, β = 96.47(2)°, Z = 4, and V = 7 921.4(17) Å3.

Synthesis and crystal structure of the rare earth borogermanate EuGeBO5

2017 ◽  
Vol 72 (2) ◽  
pp. 95-99 ◽  
Author(s):  
Yang Chi ◽  
Yan Zhuang ◽  
Sheng-Ping Guo
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Earth Metal ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Synthesis And Crystal Structure ◽  
Cell Parameters ◽  
Type Layer ◽  
Related Compounds ◽  
The Rare Earth

AbstractThe synthesis and crystal structure of the rare earth borogermanate EuGeBO5 are reported. It is synthesized by high-temperature solid-state reaction and crystallizes in the monoclinic space group P21/c (no. 14) with the unit cell parameters a=4.8860(5), b=7.5229(8), c=9.9587(10) Å, and β=91.709(3)°. Its crystal structure features a polyanion-type layer (GeBO5)3− constructed by BO4 and GeO4 tetrahedra connected alternatingly. Eu3+ ions are located in cavities and are coordinated by eight O atoms. Various structures of the related compounds REMM′O5 (RE=rare earth metal; M=Si, Ge, and Sn; M′=B, Al, and Ga) are also discussed.

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