scholarly journals 7-(Biphenyl-4-yl)-6-hydroxyindan-1-one

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Ryan N. McCoy ◽  
Katherine N. Robertson ◽  
Kai E. O. Ylijoki
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Cycloaddition Reaction ◽  
Carbonyl Groups ◽  
Compound C ◽  
Crude Reaction Mixture ◽  
A Minor

The title compound, C21H16O2, was isolated from the reaction of 1-(2-methoxyethoxy)-1-vinylcyclopropane, 4-ethynylbiphenyl, and CO in a [5 + 1 + 2 + 1] cycloaddition reaction catalysed by [Rh(CO)2Cl]2. The crystals precipitated directly from the crude reaction mixture. A hydrogen-bonding framework between the hydroxy and carbonyl groups of a symmetry-related neighbour connects the molecules into chains running parallel to the crystallographic c axis. A minor non-merohedral twin component was included in the refinement.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

2-Hydroxy-3-methoxybenzaldehyde (pyridinium-4-ylcarbonyl)hydrazone chloride hemihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o2043-o2044 ◽  
Author(s):  
Shao-Wen Chen ◽  
Han-Dong Yin ◽  
Da-Qi Wang ◽  
Xia Kong ◽  
Xiao-Fang Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

The crystal structure of the title compound, C14H14ClN3O3 +·Cl−·0.5H2O, exhibits O—H...O, C—H...O, C—H...Cl, N—H...Cl and O—H...Cl hydrogen bonds. The chloride anions participate in extensive hydrogen bonding with the aminium cations and link molecules through multiple N—H+...Cl− interactions.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

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 Methyl 3-(4-hydroxyphenyl)propionate

IUCrData ◽  
2018 ◽  
Vol 3 (11) ◽  
Author(s):  
Moaz M. Abdou ◽  
Magdalini Matziari ◽  
Paul M. O'Neill ◽  
Eric Amigues ◽  
Ruixue Zhou ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Phenyl Ring ◽  
Space Group ◽  
Compound C ◽  
Phenolic Group

The title compound, C10H12O3, crystallizes in the orthorhombicP212121space group. The structure contains a phenolic group with the OH being coplanar with the phenyl ring. The structure exhibits significant hydrogen bonding between the O—H group of one molecule and the CO group of an adjacent one. These O—H...O=C interactions form chains of molecules parallel to thebaxis. No π–π or C—H...π intermolecular interactions are observed.

scholarly journals (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Kathleen S. Lee ◽  
Luke Turner ◽  
Cynthia B. Powell ◽  
Eric W. Reinheimer
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ring ◽  
Room Temperature ◽  
Solid Phase ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp 3 C—N bond. In the crystal, hydrogen bonding through N—H...O contacts couples the asymmetric unit molecules into pairs that align in layers extending parallel to (100) via additional O—H...O interactions. The phenyl ring of one independent molecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio.

scholarly journals Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol

2020 ◽  
Vol 76 (4) ◽  
pp. 484-487
Author(s):  
Abhinav Raghuvanshi ◽  
Lena Knauer ◽  
Lydie Viau ◽  
Michael Knorr ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Chemistry ◽  
Title Compound ◽  
Dihedral Angles ◽  
Orthorhombic Space Group ◽  
Bridging Ligand ◽  
Compound C ◽  
Unit Form ◽  
Phenyl Rings

The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized dithioether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This dithioacetal 1 crystallizes in the orthorhombic space group Pbca. The phenyl rings of the benzyl groups and that of the vanillin unit form dihedral angles of 35.38 (6) and 79.77 (6)°, respectively. The crystal structure, recorded at 100 K, displays both weak intramolecular O—H...O and intermolecular O—H...S hydrogen bonding.

4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1295-o1297
Author(s):  
J. Suresh ◽  
V. P. Alex Raja ◽  
S. Natarajan ◽  
S. Perumal ◽  
A. Mostad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ethyl Acetate ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Space Filler ◽  
Acetate Molecule

In the title compound, C30H24N2O·0.5C4H8O2, the piperidone ring adopts the chair conformation and all the phenyl rings are equatorially oriented. The ethyl acetate molecule is present as a space filler and does not participate in the hydrogen-bonding network. The crystal structure is stabilized through C—H...N and C—H...O hydrogen bonds. No significant C—H...π and π–π interactions are observed.

scholarly journals N-(2,2-Dimethylpropanoyl)-N′-(2-methoxyphenyl)thiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o1129-o1129 ◽  
Author(s):  
Maisara A. Kadir ◽  
Bohari M. Yamin ◽  
M. Sukeri M. Yusof
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the title compound, C13H18N2O2S, the carbonylthiourea fragment is nearly planar with an r.m.s. deviation of 0.0096 Å. The dihedral angle between carbonylthiourea group and the benzene ring is 19.16 (16)°. There are two intramolecular N—H...O hydrogen bonds, which lead to two pseudo-six-membered rings. Weak intramolecular C—H...S hydrogen bonding also occurs.

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