scholarly journals Diethyl pyrrole-2,5-dicarboxylate

Molbank ◽  
10.3390/m1117 ◽  
2020 ◽  
Vol 2020 (1) ◽  
pp. M1117
Author(s):  
R. Alan Aitken ◽  
Charles Bloomfield ◽  
Liam J. R. McGeachie ◽  
Alexandra M. Z. Slawin
Keyword(s):  
Title Compound ◽  
Ring Contraction ◽  
X Ray ◽  
Moderate Yield ◽  
Hydrogen Bonded

The title compound was obtained in moderate yield by a new and unexpected base-induced ring contraction from a 1,4-thiazine precursor. Its X-ray structure showing hydrogen bonded dimers was compared with those of other crystallographically characterised 2-acylpyrroles.

scholarly journals 10H-Pyrazino[2,3-b][1,4]benzotellurazine, a Novel Tellurium-Containing Heterocyclic System

2020 ◽  
Vol 2020 ◽  
pp. 1-5
Author(s):  
Diamond S. Smith ◽  
Dallas N. Alexis ◽  
Frank R. Fronczek ◽  
Thomas Junk
Keyword(s):  
Title Compound ◽  
Heterocyclic System ◽  
Crystallographic Analysis ◽  
Supramolecular Assemblies ◽  
Methyl Derivative ◽  
X Ray ◽  
Hydrogen Bonded

Condensation of 2,3-dichloropyrazine with 2-aminobenzenetellurole and 2-amino-5-methylbenzenetellurole, generated in situ by reduction of the corresponding ditellurides, resulted in the formation of novel 10H-pyrazino[2,3-b][1,4]benzotellurazine and its 7-methyl derivative. The products were purified via their well-crystallized 5,5-dibromo derivatives. X-ray crystallographic analysis of the title compound indicates that it has a pronounced V-shape and forms hydrogen-bonded dimers. Te, N-containing heterocycles have the potential of offering access to supramolecular assemblies.

scholarly journals Tetrahydro-1,4-thiazine-3,5-dione

Molbank ◽  
10.3390/m1036 ◽  
2018 ◽  
Vol 2018 (4) ◽  
pp. M1036 ◽  
Author(s):  
R. Aitken ◽  
Alexandra Slawin ◽  
Pei-pei Yeh
Keyword(s):  
Title Compound ◽  
Unit Cell ◽  
X Ray ◽  
Hydrogen Bonded

The X-ray structure of the title compound contains eight molecules in the unit cell which form the basis of a herringbone arrangement of hydrogen bonded ribbons.

Notizen: Preparation and Crystal Structure of the Hydrogen-Bonded Cyclic Dimer of PhP(S)[N(CH2Ph)2]OH, HN(CH2Ph)2+

1976 ◽  
Vol 31 (10) ◽  
pp. 1421-1422 ◽  
Author(s):  
T. Stanley Cameron ◽  
James D. Healy ◽  
Robert A. Shaw ◽  
Michael Woods
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Cyclic Dimer ◽  
X Ray ◽  
X Ray Crystallography ◽  
Hydrogen Bonded

The structure of the title compound was determined by X-ray crystallography. The compound is a cyclic dimer with short N···O and N···S contacts.

Crystal structure of diammonium aquapentachloroferrate(III)

1978 ◽  
Vol 31 (12) ◽  
pp. 2717 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Hydrogen Bonded

The crystal structure of the title compound, (NH4)2 [FeCl5(H2O)], has been redetermined by single-crystal X-ray diffraction at 295 K and refined by full matrix least squares to a residual of 0.054 for 1662 'observed' reflections. Crystals are orthorhombic, Pnma, a 13.706(2), b 9.924(1), c 7.024(1)Ǻ Z 4. Fe-O is 2.110(4)Ǻ; Fe-Cl range between 2.323(1)Ǻ (trans to OH2) and 2.350(1)-2.390(1) Ǻ (cis), the latter distances being very dependent upon hydrogen-bonded interactions with nearby species.

2-(3-Hydroxy-4-methoxyphenyl)-N,N,N-trimethylethanaminium chloride

2006 ◽  
Vol 62 (7) ◽  
pp. o2993-o2994
Author(s):  
Mai Efdi ◽  
Mamoru Koketsu ◽  
Masahiro Ebihara ◽  
Hideharu Ishihara
Keyword(s):  
Title Compound ◽  
Chloride Ion ◽  
X Ray ◽  
Hydrogen Bonded

The title compound, also known as salicifoline chloride, C12H20NO2 +·Cl−, was isolated from Eniconsanthum membranifolium J. Sinclair for X-ray analysis. Salicifoline is hydrogen bonded to a chloride ion via the OH group.

Self-Recognizing π-π Stacking Interactions Designed for the Generation of Ultrastable Mesoporous Hydrogen-Bonded Organic Frameworks

2019 ◽  
Author(s):  
KAIKAI MA ◽  
Peng Li ◽  
John Xin ◽  
Yongwei Chen ◽  
Zhijie Chen ◽  
...  
Keyword(s):  
Pore Size ◽  
Fiber Composite ◽  
Aqueous Media ◽  
Stacking Interactions ◽  
Mustard Gas ◽  
X Ray Diffraction ◽  
X Ray ◽  
Expansion Strategy ◽  
Π Stacking ◽  
Hydrogen Bonded

Creating crystalline porous materials with large pores is typically challenging due to undesired interpen-etration, staggered stacking, or weakened framework stability. Here, we report a pore size expansion strategy by self-recognizing π-π stacking interactions in a series of two-dimensional (2D) hydrogen–bonded organic frameworks (HOFs), HOF-10x (x=0,1,2), self-assembled from pyrene-based tectons with systematic elongation of π-conjugated molecular arms. This strategy successfully avoids interpene-tration or staggered stacking and expands the pore size of HOF materials to access mesoporous HOF-102, which features a surface area of ~ 2,500 m2/g and the largest pore volume (1.3 cm3/g) to date among all reported HOFs. More importantly, HOF-102 shows significantly enhanced thermal and chemical stability as evidenced by powder x-ray diffraction and N2 isotherms after treatments in chal-lenging conditions. Such stability enables the adsorption of dyes and cytochrome c from aqueous media by HOF-102 and affords a processible HOF-102/fiber composite for the efficient photochemical detox-ification of a mustard gas simulant.

The X-Ray Molecular Structure of 1-(2′,4′-Dinitrophenyl)-1,2,3-triazole and the Problem of the Orthogonal Interaction Between a 'Pyridine-Like' Nitrogen and a Nitro Group

2005 ◽  
Vol 58 (11) ◽  
pp. 817 ◽  
Author(s):  
Glenn P. A. Yap ◽  
Fernando A. Jové ◽  
Rosa M. Claramunt ◽  
Dionisia Sanz ◽  
Ibon Alkorta ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nitro Group ◽  
Title Compound ◽  
Theoretical Calculations ◽  
X Ray

The structure of the title compound serves for a discussion about the topic of orthogonal interactions. This interaction, although weak, is important due to its peculiar geometry. Other examples from the Cambridge Crystallographic Database, together with theoretical calculations are reported.

Structure factor lineshape model gives approximate nanoscale size of polar aggregates in the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide

2021 ◽  
Vol 23 (15) ◽  
pp. 9061-9064
Author(s):  
Ralph A. Wheeler ◽  
Emily E. Dalbey
Keyword(s):  
Ionic Liquid ◽  
Structure Factor ◽  
Title Compound ◽  
X Ray ◽  
Nanoscale Range

Fitting X-ray structure factor lineshapes from experiment or simulation quantifies the nanoscale range of charge alternation in the title compound.

scholarly journals Homopiperazine (Hexahydro-1,4-diazepine)

Molbank ◽  
10.3390/m1200 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1200
Author(s):  
R. Alan Aitken ◽  
Dheirya K. Sonecha ◽  
Alexandra M. Z. Slawin
Keyword(s):  
13C Nmr ◽  
Title Compound ◽  
Coupling Constants ◽  
15N Nmr ◽  
Time Data ◽  
Nmr Spectrum ◽  
X Ray ◽  
First Time

The X-ray structure of the title compound has been determined for the first time. Data on its 1H–13C-NMR coupling constants and 15N-NMR spectrum are also given.

scholarly journals (S)-1-(Ethoxycarbonyl)ethyl(2R,5S)-2,5-dimethyl-1,3-dioxolan-4-one-2-carboxylate

Molbank ◽  
10.3390/m1178 ◽  
2021 ◽  
Vol 2021 (1) ◽  
pp. M1178
Author(s):  
R. Aitken ◽  
Oliver Haslett ◽  
Alexandra Slawin
Keyword(s):  
Lactic Acid ◽  
Title Compound ◽  
Ethyl Pyruvate ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nmr Methods

The title compound was obtained in low yield in the condensation of ethyl pyruvate and lactic acid. Its structure is determined by NMR methods and x-ray diffraction and the mechanism for formation of this 1:2 adduct from the initial 1:1 adduct is considered.

Sign in / Sign up

Export Citation Format

Share Document