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.

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)°.

(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 2,4-Di-tert-butyl-6-({[(R)-1-phenylethyl]amino}methyl)phenol

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
Fangqin Zhang ◽  
Yongbin Zhang ◽  
Diansheng Liu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Tert Butyl ◽  
Compound C ◽  
Butyl Group ◽  
Steric Crowding

There are two molecules in the asymmetric unit of the title compound, C23H33NO, in which the dihedral angles between the aromatic rings are 72.1 (3) and 89.0 (2)°. One of the molecules features atert-butyl group disordered over two sets of sites in a 0.545 (13):0.455 (13) ratio. Both molecules feature an intramolecular O—H...N hydrogen bond, which closes anS(6) ring. Neither of the N—H groups participates in hydrogen bonds, perhaps due to steric crowding.

scholarly journals 5-Amino-1-(2′,3′-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide: a crystal structure withZ′ = 4

2017 ◽  
Vol 73 (2) ◽  
pp. 183-187 ◽  
Author(s):  
Vincenzo Piccialli ◽  
Nicola Borbone ◽  
Giorgia Oliviero ◽  
Gennaro Piccialli ◽  
Stefano D'Errico ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Similar Conformation

The title compound, C12H20N4O5, crystallizes in the monoclinic space groupP21, with four crystallographically independent molecules in the asymmetric unit. The four molecules have a very similar conformation that is basically determined by the formation of two intramolecular hydrogen bonds between the amino NH2donors and the carbonyl and ring O-atom acceptors, forming, respectively,R(6) andR(7) ring motifs.. In the crystal, intermolecular hydrogen bonding leads to the formation ofR22(10) ring patterns, involving one amide CONH2donor and an imidazole N-atom acceptor. The cluster of the four independent molecules has approximate non-crystallographicC2point symmetry. The structural analysis also shows that during the synthesis of the title compound, the reductive cleavage of the D-ribose ring of the inosine precursor proceeds stereoselectively, with retention of configuration.

scholarly journals Crystal structure of 3,6-bis(pyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine

2019 ◽  
Vol 75 (1) ◽  
pp. 86-88
Author(s):  
Kinga Wzgarda-Raj ◽  
Agnieszka J. Rybarczyk-Pirek ◽  
Sławomir Wojtulewski ◽  
Marcin Palusiak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C

The structure of the title compound, C12H10N6, at 100 K has monoclinic (P21/n) symmetry. Crystals were obtained as a yellow solid by reduction of 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine. The structure displays intermolecular hydrogen bonding of the N—H...N type, ordering molecules into infinite ribbons extending along the [100] direction.

N,N′-Bis[(4-chloroanilino)thiocarbonyl]isophthalamide dimethylformamide solvate

2006 ◽  
Vol 62 (5) ◽  
pp. o1791-o1792
Author(s):  
You-Ming Zhang ◽  
Cheng Cao ◽  
Qi Lin ◽  
Tai-Bao Wei
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Dihedral Angles ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The principal molecule of the title compound, C22H16Cl2N4O2S2·C3H7NO, is not planar; the three benzene rings are tilted with respect to each other, with dihedral angles of 5.51 (11), 60.06 (12) and 64.33 (11)°. Intermolecular hydrogen bonding and π–π stacking help to stabilize the crystal structure.

2-Diethylamino-6-ethyl-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o2862-o2863
Author(s):  
Zheng-Dong Fang ◽  
Ming-Wu Ding
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Stacking Interactions ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking

In the title compound, C19H23N3OS, the two fused rings of the thieno[2,3-d]pyrimidin-4(3H)-one system are almost coplanar. The packing of the molecules in the crystal structure is determined by van der Waals forces. No intermolecular hydrogen-bonding interactions or π–π stacking interactions are present in the crystal structure.

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