scholarly journals An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine

2022 ◽  
Vol 78 (2) ◽  
Author(s):  
Nate Schultheiss ◽  
Jeremy Holtsclaw ◽  
Matthias Zeller
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Oil And Gas ◽  
Polymorphic Form ◽  
Gas Production ◽  
Orthorhombic Space Group ◽  
Oil And Gas Production ◽  
Space Group ◽  
One Dimensional ◽  
Centrosymmetric Dimers

Substituted triazines are a class of compounds utilized for scavenging and sequestering hydrogen sulfide in oil and gas production operations. The reaction of one of these triazines under field conditions resulted in the formation of the title compound, 2-(1,3,5-dithiazinan-5-yl)ethanol, C5H11NOS2, or MEA-dithiazine. Polymorphic form I, in space group I41/a, was first reported in 2004 and its extended structure displays one-dimensional, helical strands connected through O—H...O hydrogen bonds. We describe here the form II polymorph of the title compound, which crystallizes in the orthorhombic space group Pbca as centrosymmetric dimers through pairwise O—H...N hydrogen bonds from the hydroxyl moiety to the nitrogen atom of an adjacent molecule.

scholarly journals Coordination polymer chains built from CuIIand adipate ions linked by hydrogen bonds to form a three-dimensional framework structure

2014 ◽  
Vol 70 (7) ◽  
pp. 702-706 ◽  
Author(s):  
Zouaoui Setifi ◽  
Mehdi Boutebdja ◽  
Fatima Setifi ◽  
Hocine Merazig ◽  
Christopher Glidewell
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Polymer Chains ◽  
Framework Structure ◽  
Space Group ◽  
One Dimensional ◽  
Π Stacking Interaction ◽  
Distorted Form

In the title compound,catena-poly[bis[(2,2′-bipyridine-κ2N,N′)(1,1,3,3-tetracyano-2-ethoxypropenido-κN)copper(II)]-μ4-hexanedioato-κ6O1,O1′:O1:O6,O6′:O6], [Cu2(C9H5N4O)2(C6H8O4)(C10H8N2)2]n, the adipate (hexanedioate) dianion lies across a centre of inversion in the space groupP\overline{1}. The CuIIcentre adopts a distorted form of axially elongated (4+2) coordination, and the CuIIand adipate components form a one-dimensional coordination polymer from which the 2,2′-bipyridine and 1,1,3,3-tetracyano-2-ethoxypropenide components are pendent, and where each adipate dianion is bonded to four different CuIIcentres. The coordination polymer chains are linked into a three-dimensional framework structure by a combination of C—H...N and C—H...O hydrogen bonds, augmented by a π–π stacking interaction.

scholarly journals Crystal structure of a new polymorph of di(thiophen-3-yl) ketone

2017 ◽  
Vol 73 (10) ◽  
pp. 1560-1562
Author(s):  
Jörg Hübscher ◽  
André U. Augustin ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C9H6OS2, represents a new polymorph. The crystal structure was solved in the orthorhombic space groupPbcnwith one half of the molecule in the asymmetric unit. The thiophene rings are perfectly planar and twisted with respect to each other, showing the molecule to be in an S,O-trans/S,O-transconformation. In the crystal, C—H...O hydrogen bonds connect the molecules into layers extending parallel to theabplane. The crystal structure also features π–π interactions.

1-Benzoyl-3-(3,4-dichlorophenyl)thiourea

2006 ◽  
Vol 62 (4) ◽  
pp. o1380-o1381 ◽  
Author(s):  
M. Khawar Rauf ◽  
Amin Badshah ◽  
Ulrich Flörke ◽  
Aamer Saeed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Compound C ◽  
Centrosymmetric Dimers

In the molecule of the title compound, C14H10Cl2N2OS, the dihedral angle between the two aromatic rings is 38.58 (6)°. In the crystal structure, centrosymmetric dimers are formed via intermolecular N—H...S hydrogen bonds [N...S = 3.4798 (16) Å]. These dimeric units are, in turn, connected by weak intermolecular C—H...O hydrogen bonds, forming one-dimensional chains along [100].

Molecular structure and tautomerism of 3,5-bis(4-methylpyrazol-1-yl)-4-methylpyrazole

1993 ◽  
Vol 71 (9) ◽  
pp. 1443-1449 ◽  
Author(s):  
Monique Perrin ◽  
Alain Thozet ◽  
Pilar Cabildo ◽  
Rosa Ma Claramunt ◽  
Eduard Valenti ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Potential Surface ◽  
Pyrazole Ring ◽  
Intermolecular Hydrogen Bonds ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound C12N6H14, 1, crystallizes in the space group P21/n (a = 8.222(2) Å, b = 27.336(8) Å, c = 5.574(2) Å, α = 90.00°, β = 100.97(4)°, γ = 90.00°), Z = 4, d = 1.308 g cm−3. The conformation about the N—C bonds linking the pyrazole rings can be defined as EZ, with "pyridine-like" nitrogen atoms in an anti disposition [Formula: see text] and "pyridine-like" and "pyrrole-like" nitrogen atoms in a syn disposition [Formula: see text] with regard to the central pyrazole. Intermolecular hydrogen bonds between the central and the terminal pyrazole ring of configuration Z form centrosymmetric dimers. They pack in sheets nearly parallel to the (−2 3 1) plane. Its tautomerization barrier has been determined in methanol-d4; the value, 11.9 kcal mol−1, is similar to those of 3,5-dimethyl-4-chloropyrazole (12.8 kcal mol−1) and 3,5-dimethyl-4-nitropyrazole (12.1 kcalmol−1). These values together with the shape of the conformational potential surface (calculated using the AM1 Hamiltonian) suggest that, in compound 1, prototropy and rotation about the N—C bonds linking the three pyrazole rings take place simultaneously.

scholarly journals Crystal structure of 5-(dibenzofuran-4-yl)-2′-deoxyuridine

2017 ◽  
Vol 73 (10) ◽  
pp. 1493-1496
Author(s):  
Vijay Gayakhe ◽  
Anant Ramakant Kapdi ◽  
Yulia Borozdina ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Crystal Lattice ◽  
Title Compound ◽  
Hydrogen Atoms ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Compound C ◽  
Absolute Structure

The molecule of the title compound, C21H18N2O6, has a bent rather than a linear conformation supported by three intramolecular C—H...O hydrogen bonds. The packing in the crystal lattice is largely determined by interactions between hydrogen atoms with oxygen atom lone pairs with one molecule interacting with neigbouring moleculesviaO—H...O, N—H...O and C—H...O hydrogen bonds. The title compound crystallizes in the chiral orthorhombic space groupP212121. Its absolute structure could not be determined crystallographically and was assumed with reference to that of the reactant 5-iodo-2′-deoxyuridine.

scholarly journals PRINCIPAL APPROACHES TO CREATION OF POLYMER COMPOSITIONS - ANALOGUES OF XANTHAN GUM FOR THE INTENSIFICATION OF OIL AND GAS PRODUCTION

2020 ◽  
pp. 102-108
Author(s):  
V. A. Kozlovtsev ◽  
T. P. Aleinikova ◽  
A. B. Golovanchikov ◽  
E. V. Kozlovtsev ◽  
M. S. Povetkin ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Polyvinyl Alcohol ◽  
Xanthan Gum ◽  
Oil And Gas ◽  
Gas Production ◽  
Water Soluble ◽  
Sodium Tetraborate ◽  
Oil And Gas Production ◽  
Water Soluble Polymers ◽  
Soluble Polymers

This article analyzes the effectiveness of the use of xanthan gum for drilling and oil and gas production. It is shown that water-soluble polymers can perform such functions after their structuring and the introduction of additional reagents that regulate the amount of hydrogen bonds between the limited swellable mini-gels. The option of creating such a composition based on polyvinyl alcohol modified with epichlorohydrin and sodium tetraborate is given.

Crystal structure of (E)-1,2-bis(butylsulfonyl)ethylene

1989 ◽  
Vol 54 (5) ◽  
pp. 1257-1262
Author(s):  
Jaroslav Podlaha ◽  
Jana Podlahová ◽  
Jindřich Hašek
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Characteristic Feature ◽  
Title Compound ◽  
Orthorhombic Space Group ◽  
Intramolecular Hydrogen Bonds ◽  
Space Group ◽  
Intramolecular Hydrogen

The title compound is orthorhombic, space group Pbca, a = 8.523(1), b = 17.467(3), c = 9.449(1) Å, Z = 4, R = 0 052 for 878 observed reflections. The molecule is centrosymmetric with inversion at the middle of the double bond. The characteristic feature of the structure is an almost exactly planar O-S-C(H)=C'(H')-S'-O' moiety with the H···O' and H'···O distances of 2.55 Å, indicating much more weaker intramolecular hydrogen bonds than in the related ethylsulfonyl derivative studied earlier.

scholarly journals Hexakis(dimethyl sulfoxide-κO)zinc(II) polyiodide

2013 ◽  
Vol 69 (11) ◽  
pp. m618-m618 ◽  
Author(s):  
Luis Garzón-Tovar ◽  
Álvaro Duarte-Ruiz ◽  
Phillip E. Fanwick
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Polymer ◽  
Coordination Geometry ◽  
Space Group ◽  
One Dimensional ◽  
Iodide Ions ◽  
Bond Lengths

The title compound, [Zn{(CH3)2SO}6]I4, is a one-dimensional supramolecular polymer along a threefold rotation axis of the space group. It is built up from discrete [Zn{(CH3)2SO}6]2+units connected through non-classical hydrogen bonds to linear I42−polyiodide anions (C—H...I = 3.168 Å). The ZnIIion in the cation has an octahedral coordination geometry, with all six Zn—O bond lengths being equivalent, at 2.111 (4) Å. The linear polyiodide anion contains a neutral I2molecule weakly coordinated to two iodide ions.

Analysis of Slug Frequency Correlations for Two-Phase Gas-Liquid Horizontal Slug Flow

2014 ◽  
Author(s):  
Manoella M. Antunes ◽  
Cristiane Cozin ◽  
Fausto A. A. Barbuto ◽  
Rigoberto E. M. Morales ◽  
Hendy T. Rodrigues
Keyword(s):  
Slug Flow ◽  
Oil And Gas ◽  
Transient Flow ◽  
Industrial Applications ◽  
Gas Production ◽  
Two Phase ◽  
Oil And Gas Production ◽  
One Dimensional ◽  
Flow Parameters ◽  
Two Fluid

Multiphase flows in pipelines show several flow patterns depending on the industrial applications where they appear. In oil and gas production, typical flow rates, geometries and the physical properties of the phases make slug flow to be the most common of all patterns. This kind of flow is characterized by an intermittent succession of an aerated liquid slug region and a long, turbulent gas bubble surrounded by a liquid film. Due to its complexity, slug flow modelling has been a challenge to many researchers over the last four decades. Presently, steady-state one-dimensional models based on the unit cell concept and more accurate physical representations based on either two-fluid or slug tracking models embedding transient flow capabilities are available. These models require closure relationships for predicting flow parameters. In the present work, a literature review on frequency correlations is presented. An analysis of the performance of those correlations with experimental data for horizontal slug flows was carried out and its results are presented.

N-Benzyl-2-propanaminium O-methyl trichloroacetamidophosphate

2007 ◽  
Vol 63 (11) ◽  
pp. o4366-o4366 ◽  
Author(s):  
Mehrdad Pourayoubi ◽  
Fahimeh Sabbaghi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Polymeric Chain ◽  
Short Contact ◽  
One Dimensional ◽  
Compound C ◽  
Centrosymmetric Dimers ◽  
Hydrogen Bonded

The title compound, C13H20Cl3N2O4P, was prepared by the reaction of N-isopropylbenzylamine and CCl3C(O)N(H)P(O)Cl2, followed by crystallization from CH3OH and CH3CN. Centrosymmetric dimers of anions are hydrogen-bonded to neighbouring cations (via –P—O...H—N– and –C=O...H—N– hydrogen bonds) in a one-dimensional polymeric chain. Furthermore, a Cl...Cl interaction (3.242 Å) and a C—H...π short contact are present in the crystal structure, the former between two adjacent anions and the latter between two neighbouring cations.

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