Stereoselective Synthesis and Crystal Structure Analysis of N-Naphthyl-2-deoxy-α-D-ribopyranosylamine

A new compound N-naphthyl-2-deoxy-α-D-ribopyranosylamine was synthesized and structurally determined. It crystallizes in the orthorhombic system, space group P212121 with a = 8.361（2）, b = 12.432（3）, c = 12.791（4） A^°, Z= 4, V= 1329.6（6） A^°^3, Dc= 1.295 g/cm^3, F（000） = 552, Cl5H17NO3 and Mr= 259.30. All the active hydrogen atoms are involved in the formation of hydrogen bonds in the molecule.     

Synthesis and X-ray crystal structure of 3-deoxy-3-fluoro-β-D-allopyranoside

The synthesis of a novel compound, 3-deoxy-3-fluoro--d-allopyranoside, is described. It involves blocking the 4- and 6-positions of allose to cause fluorination only at the 3-position. This six-step synthesis gave pure crystalline compound in a 5% overall yield. The crystal structure, determined by X-ray diffraction, confirmed the chemical formula and configuration of the product. It showed that the C-F bond isaxial, while the C-(OH) bonds areequatorial. The overall conformation of this fluoroallose is similar to that of allose (Acta Cryst.1984,C40, 1863) (with OH instead of F), but the packing in the two crystals is different in the region of C3, the site of chemical variation.     

Crystal Structure of N-Phenylisothiocyanatido-Phosphonamidothioate

1INTRODUCTIONLawess0n,Sreagent(LR),2,4-Bis(4-meth0xyphenyl)-1,3,2'4-dithiadiphosphetane-2,4-disulfide,notonlyisaselectivereagentf0rthi0natingcar-bonylcompounds,buta1soreactswithcertainsubstratestogivephosph0rushetero-cyclecompoundswhichcontainthe(4-methoxyphenyl)phosphinothi0ylidene"4-CH,OC,H'P(S)"m0iety.Theseheterocycliccompoundshavesomepotentialbiologi-calactivitiesasherbicides,fungicides,andinsecticides[l'2J.Wehavestudiedthecy-clizationofthebifunctionalsubstrateswithLRtogive5-and6…     

Synthesis,Crystal Structure and Antitumor Activities of 2-Acyl-β-lactam-2-carboxamides

A series of 2-acyl-β-lactam-2-carboxamides was prepared through a tandem Ugi 4 CC/SN cyclization of bromoacetic acid, primary amine, arylglyoxal, and isocyanide. All of them were characterized by NMR, IR, MS and elemental analysis. Meanwhile, the single crystal of compound 5 a, C_(19)H_(25)ClN_2 O_3, was also obtained and determined by X-ray crystallography. Crystal data: triclinic system, space group P_1, a = 8.1318(15), b = 11.931(2), c = 12.027(2) ?, α = 67.361(3)°, β = 73.009(3)°, γ = 85.663(3)°, V = 1029.1(3) ?3, Z = 2, F(000) = 388, Dc = 1.178 g/cm3, μ = 0.204 mm~(-1), R = 0.0786 and w R = 0.2212 for 3585 independent reflections(Rint = 0.0214) and 2960 observed ones(I 2σ(I)). Intermolecular N–H···O stacking interactions contributed to the stability of the structure. The antitumor abilities of 5 were analyzed with 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazo-liumbromide(MTT) standard method; 5 c stood out as the most potent showing an IC_(50) of 1.70 μmol/L against human tumor cell lines(HepG2).     

Isolation and Crystal Structure of 2—Bromoaldisin

INTRODUCTION2-Bromoaldisin was first isolated from the marine sponge Hymeniacidon aldis [1,2]. In the course of our systematic search for bioactive substances from marine organisms, we have studied the marine sponge Phacellia fusca Schmidt and obtained the title compound. Up to now, there is no report on the crystal structure of 2-bromoaldisin. This paper reports the isolation and crystal structure of it. EXPERIMENTALIsolation of 2-bromoaldisinThe sponge, Phacellia fusca Schmidt wa…     

Synthesis of β-fluoro-β-proline

A synthetic strategy towards the novel amino acid β-fluoro-β-proline, a fluorinated analogue of β-proline, is elaborated. The synthesis commences from commercially available methyl 2-fluoroacrylate and involves three steps. The overall yield of β-fluoro-β-proline is 57%.     

Crystal Structure of Ordered White Phosphorus(β-P)

Abstract

The low-temperature form of white phosphorus (β-P, T_trans= -76.4°C) is triclinic, P1. The asymmetric unit contains 3 independent tetrahedral P₄ molecules. Intramolecular angles are 60 ± 0.5° and the P-P distances are d=220.9(5) pm. The structure of β-P is related to that of γ-Pu, the Pu atoms being substituted by P₄.     

Crystal Structure of Taxinine A

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The Crystal Structure of Isosteviol

The title compound was prepared and its crystal structure was determined using X-ray crystallographic method. The crystal is orthorhombic, space group is P212121 with a= 1. 1114(2) nm, b=1.7677(3) nm, c=1.8312(3) nm; Z=8. The geometric structure and conformation of the title compound obtained by MMX molecular mechanics calculation are in agreement with those obtained from X-ray determination.     

Hydrates of Thiothixeneβ2HCl: Kinetics of Dehydration and Crystal Structure of the Methanol Solvate

Thiothixene2HCl forms three different hydrates on exposure to water vapour. These have been characterised by X-ray powder diffraction. The dehydration reaction of the monohydrate follows the first-order rate law with E_a = 125(22) kJ mol^-1. The dehydration of the tetrahydrate follows a complex mechanism. The crystal structure of the methanol solvate of thiothixene2HCl has been elucidated. It is monoclinic, P2₁/c, a = 18.870, b = 7.018, c = 21.913 Å, = 105.622°.     

Structure of GdMg（BO2）5 Crystal

1 INTRODUCTION With the development of diode-pumped solid-sta- te lasers, the research to find more efficient materials for these lasers is gaining more importance. The luminescent materials host LnMgB5O10 may become potential solid-state laser materials[1, 2]. Nd3 -doped GdMg(BO2)5 as a potential diode-pumped laser crystal has been grown in our lab and characterized by a very strong absorption at near 808 nm and intense emission. Although the previous work repor- ted LaMg(BO2)5 with…     

Preparation and Crystal Structure of 12β,15α-dihydroxyprogesterone

Progesterone(1) was biotransformed into the title compound 12β,15α-dihydroxy-progesterone(2) with Colletotrichum lini AS3.4486.The biotransformation process was monitored with HPLC.The structure of 2 was determined by 1H NMR,13C NMR,ESI-MS and single-crystal X-ray diffraction.The crystal of the compound belongs to orthorhombic,space group P212121 with a = 8.0671(9),b = 12.3970(15),c = 18.532(3) ,Z = 4,V = 1853.3(4)3,Dc = 1.242 mg/m3,μ = 0.084 mm-1,F(000) = 752,R = 0.0373 and wR = 0.0850.Single-crystal X-ray diffraction analysis reveals that a 1D supramolecular structure of 2 has been constructed by multiply intermolecular O(2)-H(2)…O(4) and O(3)-H(3)…O(2) H-bonding interactions.     

Synthesis and Crystal Structure of Er_2Si_2O_7

1INTRODUCTIONThecompoundwithcompositionIRE,O,:ZSiO,(RE~rareEarth)exhibitsex-tensivepolymorphismthatarecharacterizedbyboundariesateuropiumandholmiumalongtheseriesoftrivalentrareearths.Asfarasthestructureisconcerned,typeCisofspecialstabilitybecauseitsrangecanbeextendedbeyondthesmallestrareearthLug toScs tl'z}.Notlongago,wereportedstructureofNd,Si,O,withstructureformAt33.SynthesisandstructureofErZSiZO7withstructureformCarehereinre-ported.2EXPERIMENTAL'ThestartingmaterialsEr,O,…     

Synthesis and Crystal Structure of Carvedilol

1INTRODUCTI0NCarvedilol,1-(4-carbazolyloxy)-3-[2-methoxyphenoxy)ethylaminoj-2-propanol,isanewgblockingandvasodilatingagent"'.IthadsynthesizedbyF.Wiedemannetalt23.Howeverthereportaboutcrystalstructureofcarvedilolhasnotbeenseen.Inthispaper,wediscussthecrystalstructureofthecarvedilolsynthe-sized[2ibythereacti0nof4-(2,3-ex0xypropoxy)-carbazoleand2-(2-methoxyphe-noxy)ethylamine.Sinceknowledgeofthemolecularandcrystalstructureofcarvedil0lwasconsideredusefulforunderstandingthemechanismoftheactio…     

Crystal and Molecular Structure of OMPCTF

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Extraction and Crystal Structure of Karounidiol

1 INTRODUCTION Karounidiol is a natural pentacyclic triterpene compound, which was identified as a novel compound initially from the Japanese commercial seeds of Trichosanthes kirilowii Maxim. (Fam. Cucurbitaceae)[1], and then isolated from the Chinese commercial seeds of T. kirilowii Maxim. and T. rosthornii Harms[2, 3] and the Japanese wild plant seeds of T. cucumeroides (Ser.) Maxim.[4]. It has not been isolated from other plants up to now, so we are thinking about how to use th…     

Crystal and Molecular Structure of Quinide

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