scholarly journals Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine

2017 ◽  
Vol 73 (8) ◽  
pp. 1213-1217
Author(s):  
Aron Sulovari ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Intramolecular Interaction ◽  
Spectroscopic Characterization ◽  
Intermolecular Hydrogen Bonding ◽  
Amino Groups ◽  
Hydrogen Atoms ◽  
Face To Face ◽  
Compound C

The two ortho-amino groups of the title compound, C5H6ClN3, twist out of the plane of the molecule to minimize intramolecular interaction between the amino hydrogen atoms. In the crystal, the amino groups and the pyridine N atom engage in intermolecular hydrogen bonding. The molecules pack into spiral hydrogen-bonded columns with offset face-to-face π-stacking.

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.

The antioxidant methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

2014 ◽  
Vol 70 (11) ◽  
pp. 1050-1053 ◽  
Author(s):  
Xiang Li ◽  
Zhi-Gang Wang ◽  
Hou-He Chen ◽  
Sheng-Gao Liu
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Methyl Acrylate ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Tert Butyl ◽  
Ester Carbonyl ◽  
Compound C ◽  
Steric Crowding

The title compound, C18H28O3, was prepared by the reaction of 2,6-di-tert-butylphenol with methyl acrylate under basic conditions using dimethyl sulfoxide as the promoter. The structure of this antioxidant indicates significant strain between theortho tert-butyl substituents and the phenolic OH group. In spite of the steric crowding of the OH group, it participates in intermolecular hydrogen bonding with the ester carbonyl O atom.

(2R,3S,4S,5R)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate

2000 ◽  
Vol 57 (1) ◽  
pp. o58-o60
Author(s):  
Sean P. Bew ◽  
Mark E. Light ◽  
Michael B. Hursthouse ◽  
David W. Knight ◽  
Robert J. Middleton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Determination ◽  
Title Compound ◽  
Crystal Structure Determination ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Relative Stereochemistry

The crystal structure determination of the title compound, C13H15IO4, has allowed the relative stereochemistry between the tetrasubstituted C atoms on the tetrahydrofuran moiety to be confirmed. The title compound is a precursor of the ionophoric antibiotic Aplasmomycin. The compound is involved in both intra- and intermolecular hydrogen bonding, the latter link the molecules into chains running along thebaxis.

scholarly journals 1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea

2012 ◽  
Vol 68 (6) ◽  
pp. o1801-o1801 ◽  
Author(s):  
Nurziana Ngah ◽  
Maisara Kadir ◽  
Bohari M. Yamin ◽  
M. Sukeri M. Yusof
Keyword(s):  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Thioamide Group ◽  
Independent Molecules

The asymmetric unit of the title compound, C11H12ClN3O3S, contains two independent molecules with different conformations in which the benzene ring and the thiourea fragment form dihedral angles of 87.28 (12) and 66.44 (10)°. The O atom of the thioamide group is involved in bifurcated N—H...O intra- and intermolecular hydrogen bonding; the latter interaction links the independent molecules into a dimer. In the crystal, N—H...S interactions link the molecules into chains propagating along the c axis.

(13bR,13cS)-rel-11b,11c-Diphenyl-6,11-dihydro-1H,3H,4H,13H-2-oxa-3a,4a,5a,11a,12a,13a-hexaazabenz[f]indeno[2,1,8-ija]naphth[2,3-f]azulene-4,6,11,13-tetrone chloroform solvate

2006 ◽  
Vol 62 (7) ◽  
pp. o2945-o2946
Author(s):  
Sheng-li Hu ◽  
Hui-Zhen Guo ◽  
Neng-Fang She
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Molecular Tweezers ◽  
Compound C ◽  
Important Intermediate

The crystal structure of the title compound, C28H22N6O5·CHCl3, an important intermediate for molecular tweezers, shows intermolecular hydrogen bonding.

2,4-Dibenzoyl-3,5-bis(4-methoxylphenyl)-1-phenylcyclohexanol

2006 ◽  
Vol 62 (4) ◽  
pp. o1631-o1632 ◽  
Author(s):  
Xinxiang Luo ◽  
Zixing Shan
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Hydroxyl Group ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C

The title compound, C40H36O5, was synthesized from p-anisaldehyde and acetophenone. The central six-membered ring adopts a chair conformation and most of the bulky side groups are located in equatorial positions. The hydroxyl group is involved in weak intra- and intermolecular hydrogen bonding.

scholarly journals Crystallographic and spectroscopic characterization of (R)-O-acetylmandelic acid

2016 ◽  
Vol 72 (7) ◽  
pp. 901-903
Author(s):  
Cady Cirbes ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Mandelic Acid ◽  
Phenylacetic Acid ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylic Acid Group ◽  
Donor Acceptor

The title compound [systematic name: (R)-(−)-2-acetoxy-2-phenylacetic acid], C10H10O4, is a resolved chiral ester derivative of mandelic acid. The compound contains an acetate group and a carboxylic acid group, which engage in intermolecular hydrogen bonding, forming chains extending parallel to [001] with a short donor–acceptor hydrogen-bonding distance of 2.676 (2) Å.

scholarly journals Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate

2019 ◽  
Vol 75 (5) ◽  
pp. 537-539
Author(s):  
Polina M. Ivantcova ◽  
Mikhail N. Sokolov ◽  
Konstantin V. Kudryavtsev ◽  
Andrei V. Churakov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Atom ◽  
Title Compound ◽  
Carbonyl Oxygen ◽  
Hydrogen Atoms ◽  
Compound C ◽  
Methylene Groups ◽  
Adjacent Molecule ◽  
Amide Fragment

The title compound, C38H50N2O7, represents a chiral β-proline dipeptide. Corresponding stereogenic centres of constituting pyrrolidine units have opposite absolute configurations. The central amide fragment is planar within 0.1 Å and adopts a Z configuration along the N—CO bond. In the crystal, the hydrogen atoms of the methylene groups form several short intermolecular C—H...O contacts with the carbonyl oxygen atoms of an adjacent molecule. The only active amino hydrogen atom is not involved in hydrogen bonding.

scholarly journals 5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-phenyl-1H-pyrazol-3(2H)-one

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
Gregory L. Powell ◽  
Brad A. Rix
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C

The title compound, C20H18N4O2, known as bispyrazolone, was crystallized from dimethyl sulfoxide. The structure has orthorhombic (Pbca) symmetry at 150 K, and displays both intra- and intermolecular hydrogen bonding through C—H...O and N—H...O contacts, respectively. None of the phenyl and pyrazolone rings in the molecule are coplanar. The dihedral angle between the pyrazolone rings is 66.18 (5)°.

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