Microbial Transformation of Glycyrrhetinic Acid by Colletotrichum lini AS3.4486

2015 ◽  
Vol 1120-1121 ◽  
pp. 877-881
Author(s):  
Chao Jun He ◽  
Yu Min Yang ◽  
Kong Yang Wu
Keyword(s):  
Single Crystal ◽  
Microbial Transformation ◽  
Glycyrrhetinic Acid ◽  
Conversion Product ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
H Nmr ◽  
Sole Product ◽  
C Nmr

The biotransformation of 18β-glycyrrhetinic acid by Colletotrichum lini AS3.4486 was investigated. The conversion reaction was carried out for 72h, and the sole product was isolated by column chromatography and elucidated as 7β,15α-dihydroxy-18β-glycyrrhetinic acid by HR-ESI-MS, 1H-NMR , 13C-NMR and single–crystal X-ray diffraction. The crystal of the conversion product belongs to orthorhombic, space group P212121 with 11.828(1), 13.213(2), 19.606(2) Å , V = 3064.0 Å3, Z = 4. This study povides a new method for the synthesis of 7β,15α-dihydroxy-18β-glycyrrhetinic acid.

scholarly journals A series of Mn(i) photo-activated carbon monoxide-releasing molecules with benzimidazole coligands: synthesis, structural characterization, CO releasing properties and biological activity evaluation

RSC Advances ◽  
2019 ◽  
Vol 9 (36) ◽  
pp. 20505-20512 ◽  
Author(s):  
Mixia Hu ◽  
YaLi Yan ◽  
Baohua Zhu ◽  
Fei Chang ◽  
Shiyong Yu ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Biological Activity ◽  
Activated Carbon ◽  
Fluorescence Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
C Nmr

Five Mn(i) photo-activated carbon monoxide-releasing molecules were synthesized by reactions of MnBr(CO)5 with L1–L4, and characterized via single crystal X-ray diffraction, 1H-NMR, 13C-NMR, IR, UV-vis and fluorescence spectroscopy.

On Attempts to Synthesize Lanthanide Complexes of the Dianionic Fluorenyl-alkoxo Ligand [C13H8-cyclo-C6H10-O]2-. Crystal Structure of (C13H9-cyclo-C6H10-O)LaI2(DME)2

2003 ◽  
Vol 58 (5) ◽  
pp. 389-394 ◽  
Author(s):  
Alexander A. Trifonov ◽  
Mikhail N. Bochkarev ◽  
Herbert Schumann ◽  
Sebastian Dechert
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Ir Spectra ◽  
Single Crystal ◽  
Lanthanide Complexes ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Elemental Analyses ◽  
C Nmr

Racemic trans-2-(9(H)-fluoren-9-yl)cyclohexanol, C13H9-cyclo-C6H10-OH (1), reacts with two equivalents of potassium naphthalenide in THF to give the dipotassium salt [C13H8-cyclo-C6H10-O]- K2(THF) (2). Recrystallization of 2 from pyridine affords the solvent free salt [C13H8-cyclo-C6H10- O]K2 (3). The reactions of LaI3(THF)4 with one equivalent of 2 or of YbI2(THF)2 with equimolar amounts of 2 produce the alkoxolanthanum diiodide (C13H9-cyclo-C6H10-O)LaI2(DME)2 (4) and the ytterbium dialkoxide (C13H9-cyclo-C6H10-O)2Yb(THF)0.5(5), respectively. [(Me3Si)2N]3Y reacts with three equivalents of 1 with elimination of hexamethyldisilazane and formation of the yttrium trialkoxide (C13H9-cyclo-C6H10-O)3Y (6). The compounds 2 to 5 were characterized by elemental analyses, 1H NMR, 13C NMR and IR spectra. The molecular structure of 4 was determined by single crystal X-ray diffraction.

scholarly journals Synthesis and Molecular Structure of Chiral (2S, 5S)-tert-Butyl 3-Oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate

2014 ◽  
Vol 2014 ◽  
pp. 1-6
Author(s):  
Tetsuji Moriguchi ◽  
Suvratha Krishnamurthy ◽  
Toru Arai ◽  
Akihiko Tsuge
Keyword(s):  
Single Crystal ◽  
High Resolution Mass Spectrometry ◽  
Amino Acid Ester ◽  
Ethyl Esters ◽  
X Ray Diffraction ◽  
Chiral Column ◽  
Orthorhombic Space Group ◽  
Chiral Compound ◽  
X Ray ◽  
H Nmr

The title compound (2S, 5S)-tert-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate was synthesized as a chiral cyclic amino acid ester from the corresponding cis- and trans-5-hydroxypipecolic acid ethyl esters via an intramolecular lactonization reaction without using chiral catalyst or enzyme and without separation by chiral column chromatography. The chiral compound was characterized using 1H NMR spectroscopy and high-resolution mass spectrometry. Its exact structure was then determined via single crystal X-ray diffraction analysis of a single crystal obtained after recrystallization of the compound from ethyl acetate/diethyl ether. The crystal was found to be of the orthorhombic space group P212121 (No. 19, noncentrosymmetric, chiral) with a=9.6402(10) Å, b=9.7026(10) Å, c=12.2155(12) Å, Dcalc=1.3194 g/cm3, and a Flack parameter of 0.0(5) at 90 K. The compound has a bicyclo[2.2.2]octane structure comprised of lactone and piperidine groups.

scholarly journals Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one

2017 ◽  
Vol 73 (2) ◽  
pp. 223-226 ◽  
Author(s):  
Kirandeep ◽  
Ahmad Husain ◽  
Pooja Negi ◽  
Girijesh Kumar ◽  
Ramesh Kataria
Keyword(s):  
Single Crystal ◽  
Crystal Packing ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Dehydroacetic Acid ◽  
Compound C ◽  
Ft Ir ◽  
C Nmr

The title compound, C14H13N3O5(HMNP), was synthesized by the simple condensation ofp-nitrophenylhydrazine with dehydroacetic acid (DHA) in a 1:1 molar ratio in ethanol. HMNP has been characterized by using FT–IR,1H and13C NMR and UV–Vis spectroscopic and single-crystal X-ray diffraction techniques. The crystal packing reveals strong hydrogen bonds between the NH group and the carbonyl O atom of dihydropyranone moiety, forming chains along [101]. The thermal stability of the synthesized compound was confirmed by thermogravimetric analysis and it was found to be stable up to 513 K. The UV–Vis spectrum shows the presence of a strong band at λmax394 nm.1H NMR and single-crystal X-ray analyses confirmed the presence of theenolform of the ligand and dominance over theketoform. The crystal studied was a non-merohedral twin with the refined ratio of the twin components being 0.3720 (19):0.6280 (19).

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

Adsorption behaviour of a CdII–triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions

2019 ◽  
Vol 75 (6) ◽  
pp. 806-811
Author(s):  
Jia Wang ◽  
Tianchao You ◽  
Teng Wang ◽  
Qikui Liu ◽  
Jianping Ma ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Specific Binding ◽  
Supramolecular Interactions ◽  
Adsorption Behaviour ◽  
X Ray Diffraction ◽  
Guest Molecules ◽  
X Ray ◽  
Π Interactions ◽  
H Nmr

The adsorption behaviour of the CdII–MOF {[Cd(L)2(ClO4)2]·H2O (1), where L is 4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole, for butan-2-one was investigated in a single-crystal-to-single-crystal (SCSC) fashion. A new host–guest system that encapsulated butan-2-one molecules, namely poly[[bis{μ3-4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate], {[Cd(C24H18N6)2](ClO4)2·1.5C4H8O} n , denoted C4H8O@Cd-MOF (2), was obtained via an SCSC transformation. MOF 2 crystallizes in the tetragonal space group P43212. The specific binding sites for butan-2-one in the host were determined by single-crystal X-ray diffraction studies. N—H...O and C—H...O hydrogen-bonding interactions and C—H...π interactions between the framework, ClO4 − anions and guest molecules co-operatively bind 1.5 butan-2-one molecules within the channels. The adsorption behaviour was further evidenced by 1H NMR, IR, TGA and powder X-ray diffraction experiments, which are consistent with the single-crystal X-ray analysis. A 1H NMR experiment demonstrates that the supramolecular interactions between the framework, ClO4 − anions and guest molecules in MOF 2 lead to a high butan-2-one uptake in the channel.

β-Hydroxydithiozimtsäurederivate als Liganden. Synthese und Charakterisierung neuartiger 1,1-Ethendithiolato- und O,S-Chelatkomplexe / Derivatives of β -Hydroxydithiocinnamic Acids as Ligands. Syntheses and Characterisation of Novel 1,1-Ethenedithiolato and O,S-Chelate Complexes

2007 ◽  
Vol 62 (3) ◽  
pp. 475-482 ◽  
Author(s):  
Karsten Schubert ◽  
Helmar Görls ◽  
Wolfgang Weigand
Keyword(s):  
Bidentate Ligand ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Chelate Complexes ◽  
X Ray ◽  
H Nmr ◽  
Hexyl Ester ◽  
Elemental Analyses ◽  
Derivatives Of ◽  
C Nmr

Starting from 4-bromoacetophenone 1, the 4-bromo-β -hydroxydithiocinnamic acid 2 and the 4-bromo-β -hydroxydithiocinnamic acid hexyl ester 3 were prepared using carbon disulfide and potassium-tert-butylate as a base. Acting as a ligand, the acid gives 1,1-ethenedithiolato complexes with (Ph3P)2Pt(II) (4a), (Et3P)2Pt(II) (4b), dppePt(II) (4c), (Ph3P)2Pd(II) (4d), dppePd(II) (4e), and dppeNi(II) (4f). In contrast to the acid, the deprotonated ester 3 forms a monoanionic bidentate ligand. [O,S] Complexes of Pt(II) (5a), Pd(II) (5b) and Ni(II) (5c) were obtained. All complexes have been fully characterised using 1H NMR, 13C NMR and 31P NMR spectroscopy, mass spectrometry, infrared spectroscopy and elemental analyses. The molecular structures of the complexes 4b and 5a - 5c were determined by X-ray diffraction analyses.

scholarly journals Darstellung von μ-Nitroso-bis(pentahydro-closo-hexaborat)(3-) und Kristallstruktur von Cs3[B6H5(NO)B6H5] / Preparation of μ-nitroso-bis(pentahydro-closo-hexaborate)(3-) and crystal structure of Cs3[B6H5(NO)B6H5]

1994 ◽  
Vol 49 (9) ◽  
pp. 1263-1266 ◽  
Author(s):  
A. Franken ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Ion Exchange ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Ion Exchange Chromatography ◽  
Exchange Chromatography ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Diethylaminoethyl Cellulose

By electrochemical oxidation of [B6H6]2- in the presence of nitrite ions and of the base DBU in dichlorom ethane solution the μ-nitroso-bis(pentahydrohexaborate) [B6H5(NO)B6H5]3- ion is formed and can be isolated by ion exchange chromatography on diethylaminoethyl cellulose. The crystal structure of the Cs salt has been determined from single crystal X-ray diffraction analysis. Cs3[B6H5(NO)B6H5] is orthorhombic, space group Pnma with a = 16.2303(13), b = 12.245(6), c = 25.444(2) Å. The unit cell contains three crystallographically independent anions with nearly C2v symmetry but differently distorted B6 cages

Synthesis of an Oxaspirolactone Intermediate for the Synthesis of Spirolides

2000 ◽  
Vol 53 (10) ◽  
pp. 845 ◽  
Author(s):  
Margaret A. Brimble ◽  
Fares A. Fares ◽  
Peter Turner
Keyword(s):  
Carboxylic Acid ◽  
Single Crystal ◽  
Building Block ◽  
New Method ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

A new method has been established for the preparation of C 2-oxidized 5,5-spiroacetals, which are key intermediates for the synthesis of the bis-spiroacetal moiety of the spirolides. A bridged orthoester was used as a masked carboxylic acid in the preparation of these bicyclic oxaspirolactones. The synthesis of chiral lactone (12), a building block for the synthesis of the spirolides, is also reported. The two chiral centres in lactone (12) were assembled by addition of a chiral crotyl borane to an aldehyde. The structure of lactone (12) was determined by single-crystal X-ray diffraction; orthorhombic space group P212121 (No. 19), a 12.437(2), b 23.881(4), c 7.545(1) Å, V 2240.9(5) Å3, R(F) 0.0460, and Rw(F) 0.0458.

The location of p-dichlorobenzene in a single crystal of zeolite H-ZSM-5 at high sorbate loading

1996 ◽  
Vol 52 (1) ◽  
pp. 140-144 ◽  
Author(s):  
H. van Koningsveld ◽  
J. C. Jansen ◽  
H. van Bekkum
Keyword(s):  
Single Crystal ◽  
Cross Sections ◽  
Unit Cell ◽  
Molecular Axis ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Acta Cryst ◽  
Elliptical Cross ◽  
X Ray ◽  
Structural Aspects

The crystal structure of a high-loaded complex of H-ZSM-5 with eight molecules of p-dichlorobenzene per unit cell has been solved by single-crystal X-ray diffraction. The orthorhombic space group P212121 with a = 20.102 (6), b = 19.797 (9), c = 13.436 (3) Å and V = 5347 (3) Å3 has four Si23.92Al0.08O48.2C6H4Cl2 units per unit cell. Dx = 2.164 Mg m−3, λ(MoKα) = 0.71073 Å and μ(Mo Kα) = 0.876 mm−1. The final R(wR) = 0.046 (0.039), w = 1/σ 2(F), for 6090 observed reflections with I > 1.0σ(I) measured at 293 K. The straight channel parallel to [010] is slightly corrugated. The elliptical cross sections have limiting apertures of 6.0 × 4.9 Å (r oxygen = 1.35 Å). The sinusoidal channel parallel to [100] is elliptical with major and minor axes of 6.1 × 4.8 Å, respectively. One of the two independent p-dichlorobenzene molecule lies at the intersection of the straight and sinusoidal channels with its long molecular axis almost parallel to (100) and deviating ~8° from [010]. The second p-dichlorobenzene molecule is in the sinusoidal channel. Its long molecular axis deviates almost 7° from [100] and is practically parallel to (010). The structural aspects are in all details comparable to those in the high-loaded H-ZSM-5/p-xylene complex [van Koningsveld, Tuinstra, van Bekkum & Jansen (1989). Acta Cryst. B45, 423–431] , except for the main interaction forces between the p-dichlorobenzene molecules at the channel intersection.

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