scholarly journals 4,4′-(4,5-Dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols

2012 ◽  
Vol 68 (4) ◽  
pp. o179-o182
Author(s):  
Marcus R. Bond ◽  
Bruce A. Hathaway ◽  
Uriah J. Kilgore
Keyword(s):  
Hydrogen Bonding ◽  
Double Layer ◽  
Title Compound ◽  
Structural Variation ◽  
Intramolecular Hydrogen Bonding ◽  
Molecular Plane ◽  
Oh Groups ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonded

The structure of the title compound, C18H22O2, contains two non-equivalent molecules which differ primarily in the location of the –OH groups on opposite sides or on the same side of the molecular plane. Inversion-symmetric pairs of molecules form intermolecular O—H...O hydrogen-bonded tetrameric synthons that link non-equivalent molecules into an approximately square double layer parallel to (\overline{1}02). Recently reported fluorinated analogues [Kane, Meyers, Yu, Gerken & Etzkorn (2011).Eur. J. Org. Chem.pp. 2969–2980] have significantly different structures of varying complexity that incorporate intramolecular hydrogen bonding and suggest that further study of structureversussubstituents in vicinal dialkynols could be fruitful.

5-(p-Tolylsulfonyl)-3-oxa-5-azatricyclo[5.2.1.04,8]decane

2006 ◽  
Vol 62 (5) ◽  
pp. o1923-o1924
Author(s):  
Cengiz Arıcı ◽  
Dinçer Ülkü ◽  
H. Ümit Kanıskan ◽  
Özdemir Doğan
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonding ◽  
Boat Conformation ◽  
Envelope Conformation ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Intramolecular Hydrogen

In the title compound, C15H19NO3S, the tricyclodecane part of the molecule can be described in terms of three rings. The C4N ring is in an envelope conformation, as is the C5 ring. The C5O ring adopts a boat conformation. There are no inter- or intramolecular hydrogen-bonding interactions.

scholarly journals Ethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

2013 ◽  
Vol 69 (2) ◽  
pp. o299-o300 ◽  
Author(s):  
Sumati Anthal ◽  
Goutam Brahmachari ◽  
Suvankar Das ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonding ◽  
Boat Conformation ◽  
Amino Group ◽  
Π Interactions ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C32H28F2N2O2, the tetrahydropyridine ring adopts a distorted boat conformation. The two fluorophenyl groups are attached to the tetrahydropyridine ring in atransorientation. The dihedral angle between the planes of the fluoro-substituted rings is 57.0 (1)°. The amino group and carbonyl O atom are involved in intramolecular hydrogen bonding. In the crystal, weak C—H...O, C—H...F and C—H...π interactions link the molecules into columns along [010].

Helical supramolecular assembly ofN2,N2′-bis[3-(morpholin-4-yl)propyl]-N1,N1′-(1,2-phenylene)dioxalamide dimethyl sulfoxide monosolvate

2012 ◽  
Vol 69 (1) ◽  
pp. 66-69 ◽  
Author(s):  
Juan Saulo González-González ◽  
Itzia I. Padilla-Martínez ◽  
Efrén V. García-Báez ◽  
Olivia Franco-Hernández ◽  
Francisco J. Martínez-Martínez
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
Supramolecular Assembly ◽  
Intramolecular Hydrogen Bonding ◽  
Dimensional Structure ◽  
Hydrogen Bonding Pattern ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Soft Interactions

In the title compound, C24H36N6O6·C2H6OS, the carbonyl groups are in an antiperiplanar conformation, with O=C—C=O torsion angles of 178.59 (15) and −172.08 (16)°. An intramolecular hydrogen-bonding pattern is depicted by four N—H...O interactions, which form two adjacentS(5)S(5) motifs, and an N—H...N interaction, which forms anS(6) ring motif. Intermolecular N—H...O hydrogen bonding and C—H...O soft interactions allow the formation of ameso-helix. The title compound is the first example of a helical 1,2-phenylenedioxalamide. The oxalamide traps one molecule of dimethyl sulfoxide through N—H...O hydrogen bonding. C—H...O soft interactions give rise to the two-dimensional structure.

Methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

2007 ◽  
Vol 63 (3) ◽  
pp. o1228-o1229 ◽  
Author(s):  
Hamid Nawaz ◽  
M. Khawar Rauf ◽  
Yasuhiro Fuma ◽  
Masahiro Ebihara ◽  
Amin Badshah
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonding ◽  
Phenyl Acetate ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Benzene Rings ◽  
Intramolecular Hydrogen

The title compound, C15H13Cl2NO2, exhibits intramolecular hydrogen bonding between the amino N and methoxy O atoms, and no intermolecular hydrogen bonding, contrary to previous studies. The dihedral angle between the two benzene rings is 74.99 (7)°.

Photoelectron studies on intramolecularly hydrogen-bonded systems. I. The photoelectron spectra of cis- and trans-2-aminocyclopentanol, and cis- and trans-2-(N,N-dimethylamino)cyclopentanol

1976 ◽  
Vol 54 (4) ◽  
pp. 642-646 ◽  
Author(s):  
R. S. Brown
Keyword(s):  
Hydrogen Bonding ◽  
Ionization Energy ◽  
Lone Pair ◽  
Intramolecular Hydrogen Bonding ◽  
Photoelectron Spectra ◽  
Hydrogen Bonded Systems ◽  
Intramolecular Hydrogen ◽  
Cis And Trans ◽  
Infrared Data ◽  
Hydrogen Bonded

The photoelectron spectra of cis- and trans-2-aminocyclopentanol and cis- and trans-2-(N,N,-dimethylamino)cyclopentanol have been recorded and interpreted. The cis isomers exhibit N lone pair ionizations at higher ionization energy, and O lone pair ionizations at lower ionization energy than their trans isomers.The results are most consistent with the existence and observation of intramolecular hydrogen-bonding in the cis isomers. Infrared data on these systems also show that the cis isomers exist in the intramolecularly hydrogen-bonded state.

scholarly journals (Pyridin-4-yl)methylN′-(3-phenylallylidene)hydrazinecarbodithioate

2013 ◽  
Vol 69 (2) ◽  
pp. o167-o168 ◽  
Author(s):  
May Lee Low ◽  
Thahira Begum S. A. Ravoof ◽  
Mohamed Ibrahim Mohamed Tahir ◽  
Karen A. Crouse ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonding ◽  
Double Layer ◽  
Title Compound ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound, C16H15N3S2, the central C2N2S2residue is planar (r.m.s. deviation = 0.045 Å) and the pyridyl and benzene rings are inclined and approximately coplanar to this plane, respectively [dihedral angles = 72.85 (9) and 10.73 (9)°], so that, overall, the molecule adopts an L-shape. The conformation about each of the N=C [1.290 (3) Å] and C=C [1.340 (3) Å] bonds isE. Supramolecular chains along [1-10] are stabilized by N—H...N(pyridine) hydrogen bonding and these are connected into a double layer that stacks along thec-axis direction by C—H...π(pyridine) interactions.

scholarly journals Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde

2020 ◽  
Vol 76 (12) ◽  
pp. 1810-1812
Author(s):  
Christopher T. Triggs ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonding ◽  
Spectroscopic Characterization ◽  
Face To Face ◽  
Π Stacking ◽  
Intramolecular Hydrogen

The title compound (systematic name: 3-chloro-5-fluoro-2-hydroxybenzaldehyde), C7H4ClFO2, is a dihalogenated salicylaldehyde derivative that has been studied for its antibacterial characteristics. The salicylaldehyde engages in intramolecular hydrogen bonding with an O—H...O distance of 2.6231 (19) Å while the molecules pack together via weak intermolecular C—H...O, C—H...F and F...O interactions and offset face-to-face π-stacking.

scholarly journals A simple and effective preparation of quercetin pentamethyl ether from quercetin

2018 ◽  
Vol 14 ◽  
pp. 3112-3121 ◽  
Author(s):  
Jin Tatsuzaki ◽  
Tomohiko Ohwada ◽  
Yuko Otani ◽  
Reiko Inagi ◽  
Tsutomu Ishikawa
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Room Temperature ◽  
Computational Study ◽  
Dimethyl Sulfate ◽  
Intramolecular Hydrogen Bonding ◽  
Single Product ◽  
Oh Groups ◽  
Methylation Product ◽  
Intramolecular Hydrogen

Among the five hydroxy (OH) groups of quercetin (3,5,7,3',4'-pentahydroxyflavone), the OH group at 5 position is the most resistant to methylation due to its strong intramolecular hydrogen bonding with the carbonyl group at 4 position. Thus, it is generally difficult to synthesize the pentamethyl ether efficiently by conventional methylation. Here, we describe a simple and effective per-O-methylation of quercetin with dimethyl sulfate in potassium (or sodium) hydroxide/dimethyl sulfoxide at room temperature for about 2 hours, affording quercetin pentamethyl ether (QPE) quantitatively as a single product. When methyl iodide was used in place of dimethyl sulfate, the C-methylation product 6-methylquercetin pentamethyl ether was also formed. A computational study provided a rationale for the experimental results.

1,1-Diphenylbutane-1,3-diol: the First Structurally Characterized Example of an Intramolecularly Hydrogen-Bonded Open-Chain 1,3-diol

1996 ◽  
Vol 49 (11) ◽  
pp. 1251
Author(s):  
CF Carvalho ◽  
DP Arnold ◽  
RC Bott ◽  
G Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Orthorhombic Space Group ◽  
Open Chain ◽  
Space Group ◽  
A Cell ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups ◽  
Hydrogen Bonded

The crystal structure of the asymmetric 1,3-diol 1,1-diphenylbutane-1,3-diol has been determined and refined to a residual R of 0.039 for 795 observed reflections. Crystals are orthorhombic, space group P212121, with four molecules in a cell of dimensions a 9.625(4), b 16.002(3), c 8.834(3) Ǻ. The compound is unique among the known crystallographically characterized open-chain 1,3-diols in having only intramolecular hydrogen bonding involving the hydroxy groups [O-- -O 2.602(5) Ǻ].

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