scholarly journals 4,5-Dichloro-3H-1,2-dithiol-3-one

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Khaled Boukebbous ◽  
El Adoui Laifa ◽  
Aimery De Mallmann ◽  
Mostafa Taoufik
Keyword(s):  
Ethyl Acetate ◽  
Carbonyl Group ◽  
Torsion Angle ◽  
Title Compound ◽  
Expected Value ◽  
Planar Geometry ◽  
Acetate Solution ◽  
Ethyl Acetate Solution ◽  
Monoclinic System ◽  
Bond Lengths

The crystallization from an ethyl acetate solution of the title compound, also known as dichloro-1,2-dithiacyclopentenone, C3Cl2OS2, leads to a monoclinic system withP21/nspace group. The molecule displays an almost planar geometry, with a torsion angle of −2.1 (1)° for the endocyclic C—C—S—S fragment. The S—S and C=O bond lengths are 2.0521 (8) and 1.212 (3) Å, respectively. The endocyclic S—C—C angle sustained by the carbonyl group, 110.94 (16)°, deviates from the expected value of 120° for ansp2-hybridized C atom. In the crystal, short S...S, S...Cl, S...O and Cl...Cl contacts are observed.

scholarly journals trans-Dichloridobis[dicyclohexyl(phenyl)phosphane-κP]palladium(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m404-m404 ◽  
Author(s):  
Andrew R. Burgoyne ◽  
Reinout Meijboom ◽  
Hezron Ogutu
Keyword(s):  
Long Range ◽  
Title Compound ◽  
Phenyl Ring ◽  
Planar Geometry ◽  
Dalton Trans ◽  
Bond Lengths ◽  
Monomeric Complex ◽  
Square Planar

The title compound, [PdCl2{P(C6H11)2(C6H5)}2], forms a monomeric complex with atrans-square-planar geometry. The Pd—P bond lengths are 2.3343 (5) Å, as the Pd atom lies on an inversion centre, while the Pd—Cl bond lengths are 2.3017 (4) Å. The observed structure was found to be closely related to [PdCl2{P(C6H11)3}2] [Grushinet al.(1994).Inorg. Chem.33, 4804–4806], [PdBr2{P(C6H11)3}2] [Clarkeet al.(2003).Dalton Trans.pp. 4393–4394] and [PdCl2P(C6H11)2(C7H7)}2] [Vuotiet al.(2008).Eur. J. Inorg. Chem.pp. 397–407] (C6H11is cyclohexyl and C7H7iso-tolyl). One of the cyclohexyl rings is disordered with the phenyl ring in a 0.587 (9):413 (9) ratio. Five long-range C—H...Cl interactions were observed within the structure.

scholarly journals Preparation and Photochromic Performance of Homogeneous Phase Nitrocellulose Membrane Grafting Spirooxazine Moieties

Coatings ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 569
Author(s):  
Bin-Bin Sun ◽  
Bing-Hua Yao ◽  
Yang-Qing He ◽  
Bo Yang
Keyword(s):  
Ethyl Acetate ◽  
Acetate Solution ◽  
Ethyl Acetate Solution ◽  
Colored Form ◽  
Isobutyl Ketone ◽  
Photochromic Properties ◽  
Photochromic Behavior ◽  
Reaction Rate Constants ◽  
13C Nuclear Magnetic Resonance ◽  
Relative Absorption

The synthesis of 1,3,3-trimethyl-9′-acryloxyspiro[indoline-2,3′(3H)naphtho[2,1-b][l,4]-oxazine] (AISO) was carried out by catalytic esterification of 1,3,3-trimethyl-9′-hydroxyspiro-[indoline-2,3′(3H)naphtho[2,1-b][l,4]oxazine] (SO–OH) and acrylic acid in the presence of 1,3-dicyclohexylcarbodiimide (DCC) and N-dimethylaminopyridine (DMAP). Then, the synthesis of the target copolymer (NC-g-AISO) was was carried out by benzoyl peroxide (BPO)-induced graft copolymerization of the AISO monomer onto nitrocellulose (NC) in a homogeneous methyl isobutyl ketone medium. The structure of NC-g-AISO was characterized by Fourier transform infrared (IR) spectroscopy, 13C Nuclear Magnetic Resonance (NMR) spectra and thermogravimetric (TG) analysis. The photochromic properties of NC-g-AISO were investigated by examining UV–Vis spectra in ethyl acetate solution and solid membrane. Compared with the AISO monomer in ethyl acetate solution, the thermal color decay stability of the colored form of NC-g-AISO in ethyl acetate solution and in solid membrane improved significantly. The thermal color decay reaction rate constants in ethyl acetate solution and membrane at 25 °C were 1.77 × 10–2 and 1.36 × 10–3 s–1, respectively, fitted using the first-order reaction equation. After ten photochromic cycles, the relative absorption intensity of the colored form of NC-g-AISO decreased by 0.85%, indicating that the NC-g-AISO membrane has good reversible photochromic behavior.

scholarly journals N′′-(4-Methoxyphenyl)-N,N,N′-trimethyl-N′-phenylguanidine

2014 ◽  
Vol 70 (4) ◽  
pp. o460-o460 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Wolfgang Frey ◽  
Willi Kantlehner
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Planar Geometry ◽  
Single Bond ◽  
Bond Lengths ◽  
Compound C ◽  
Centrosymmetric Dimers ◽  
Bond Character

In the title compound, C17H21N3O, the C—N bond lengths in the guanidine unit are 1.2889 (19), 1.3682 (19) and 1.408 (2) Å, indicating double- and single-bond character. The N—C—N angles are 115.10 (13), 119.29 (15) and 125.61 (14)°, showing a deviation of the CN3plane from an ideal trigonal–planar geometry. In the crystal, non-classical C—H...O hydrogen bonds between methyl H atoms and methoxy O atoms are present, generating centrosymmetric dimers running in the [101] direction.

scholarly journals A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene

2015 ◽  
Vol 71 (8) ◽  
pp. 886-889 ◽  
Author(s):  
Yee Seng Tan ◽  
Chien Ing Yeo ◽  
Edward R. T. Tiekink
Keyword(s):  
Torsion Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Bond Lengths ◽  
Significant Difference ◽  
New Form ◽  
Supramolecular Chains

The title compound, [Fe(C17H14PS)2], is a second monoclinic polymorph (P21/c, withZ′ = 1) of the previously reported monoclinic (C2/c, withZ′ = 1/2) form [Fanget al.(1995).Polyhedron,14, 2403–2409]. In the new form, the S atoms lie to the same side of the molecule with the pseudo S—P...P—S torsion angle being −53.09 (3)°. By contrast to this almostsyndisposition, in theC2/cpolymorph, the Fe atom lies on a centre of inversion so that the S atoms are strictlyanti, with a pseudo-S—P...P—S torsion angle of 180°. The significant difference in molecular conformation between the two forms does not result in major perturbations in the P=S bond lengths nor in the distorted tetrahedral geometries about the P atoms. The crystal packing of the new monoclinic polymorph features weak Cp—C—H...π(phenyl) interactions consolidating linear supramolecular chains along theaaxis. These pack with no directional interactions between them.

scholarly journals Structure of 2-chloro-N-(p-tolyl)propanamide

2018 ◽  
Vol 74 (11) ◽  
pp. 1584-1588
Author(s):  
Roderick C. Jones ◽  
Brendan Twamley
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Halogen Bonding ◽  
Bond Lengths ◽  
Π Interactions ◽  
Continuous Crystallization ◽  
Crystallization Study

Two independent samples of the title compound, alternatively 2-chloro-N-(4-methylphenyl)propanamide, C10H12ClNO,1, were studied using CuKα,1a, and MoKα,1b, radiation as part of a continuous crystallization study. The molecule crystallizes with disorder in the Cl/terminal methyl positions [occupancies for the major disorder component of 0.783 (2) in1aand and 0.768 (2) in1b] and exhibits N—C bond lengths of 1.3448 (19), 1.344 (2) Å, C=O bond lengths of 1.2233 (18) and 1.2245 (19) Å and an acetamide moiety C—N—C—C torsion angle of 179.00 (13), 178.97 (14) ° for1aand1b, respectively. In the crystal, chains along theaaxis are formedviaN—H...O hydrogen bonds between acetamide groups, as well as C—H...O interactions. These chains arrange themselves into parallel running stacks which display weak C—Cl...O=C halogen bonding as well as weak C—H...π interactions.

scholarly journals (E)-1-(1,3-Benzodioxol-5-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Karthik Kumara ◽  
S. Naveen ◽  
A. Dileep Kumar ◽  
K. Ajay Kumar ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Double Bond ◽  
Carbonyl Group ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Compound C ◽  
Benzene Rings ◽  
Olefinic Double Bond

In the title compound, C18H17NO3, the olefinic double bond adopts anEconformation. The molecule is nearly planar as indicated by the dihedral angle of 3.11 (6)° between the benzodioxole and benzene rings. The carbonyl group lies in the plane of the olefinic double bond and the benzodioxole ring. Thetransconformation of the C=C double bond in the central enone group is confirmed by the C=C—C—C torsion angle of −177.82 (14)°.

Spectrophotometric Determination of Capsaicin

1977 ◽  
Vol 60 (4) ◽  
pp. 970-972 ◽  
Author(s):  
José Jorge Ramos Palacio
Keyword(s):  
Ethyl Acetate ◽  
Rapid Method ◽  
Spectrophotometric Determination ◽  
Acetate Solution ◽  
Ethyl Acetate Solution

Abstract A rapid method has been developed for determining the pungency of hot paprika. Paprika is extracted with ethyl acetate, and an ethyl acetate solution of vanadium oxytrichloride is added just before reading at 720 nm. The method is sensitive for small quantities, i.e., less than 0.05%, and it is not necessary to isolate and purify the capsaicin.

scholarly journals Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. o24-o25
Author(s):  
F. M. Mashood Ahamed ◽  
M. Syed Ali Padusha ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Carbonyl Group ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Equatorial Orientation ◽  
Compound C ◽  
Morpholine Ring

In the title compound C18H20N2O2, the morpholine ring adopts a chair conformation with the exocyclic N—C bond in an equatorial orientation. The N atom of the morpholine ring and the C atom of the carbonyl group are in ananticonformation about the central C—C bond [torsion angle = −162.92 (11)°] and the dihedral angle between the planes of the benzene ring and the pyridine ring is 83.30 (5)°. In the crystal, pairs of very weak C—H...π interactions link the molecules into inversion dimers.

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