(RS,RS)-5-[Hydroxy(4-methylphenyl)methyl]furan-2(5H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4298-o4298
Author(s):  
Thierry Ollevier ◽  
Jean-Emmanuel Bouchard ◽  
Valerie Desyroy ◽  
Christian Tessier
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Hydroxyl Group ◽  
Torsion Angles ◽  
Relative Configuration ◽  
Compound C ◽  
Stereogenic Centers

The crystal structure of the racemic title compound, C12H12O3, allowed the determination of the relative configuration at the two stereogenic centers. For the R,R isomer, the O—C—C—O and C—C—C—C torsion angles around the bond between the two methine C atoms are 62.38 (15) and −175.49 (13)°, respectively. The furan and tolyl groups are almost perpendicular, with a dihedral angle of 79.39 (5)°. Strong and linear intermolecular O—H...O hydrogen bonding (H...O = 2.04 Å and O—H...O = 177°) is observed between the hydroxyl group and the C=O oxygen.

(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 2,2-Dibromo-N-(4-fluorophenyl)acetamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1824-o1824
Author(s):  
Xiangjun Qian ◽  
Zheng Fang ◽  
Shuxin Bao ◽  
Kai Guo ◽  
Ping Wei
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the crystal structure of the title compound, C8H6Br2FNO, C—H...O and N—H...O hydrogen bonding results in six-membered rings and links the molecules into chains running parallel to the c axis. The dihedral angle between the fluorophenyl ring and the acetamide group is 29.5 (5)°.

scholarly journals Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)

2015 ◽  
Vol 71 (12) ◽  
pp. o959-o960 ◽  
Author(s):  
Toyketa V. Horne ◽  
Syed A. Haque ◽  
Adrianne Barton ◽  
Md. Alamgir Hossain
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Tertiary Amine ◽  
Title Compound ◽  
Functional Group ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Acceptor Atom ◽  
Dansyl Derivatives

In the title compound, C29H37N5O4S2, two arms substituted with dansyl derivatives are connected to a central tertiary amine, where the dihedral angle between the planes of two dansyl units is 56.39 (4)°. Each arm contains a sulfonamide functional group and both N—H groups in the compound are pointed to the same side. The central part of the molecule is disordered over three sets of sites with a refined occupancy ratio of 0.547 (4):0.328 (4):0.125 (3). No intramolecular π–π or hydrogen-bonding interactions are observed. In the crystal, molecules are linkedviapairs of N—H...O interactions involving the same acceptor atom, forming inversion dimers. In addition, C—H...O interactions exist between molecules, providing further stabilization of dimers.

scholarly journals 1,1′,2,2′-Tetramethyl-3,3′-(4-methoxybenzylidene)di-1H-indole

2009 ◽  
Vol 65 (6) ◽  
pp. o1332-o1332
Author(s):  
Cai-Li Zhang ◽  
Ping-Ping Ye ◽  
Zhi-Qiang Du
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C

The title compound, C28H28N2O, was prepared by condensation of 1,2-bimethylindole and 4-methoxybenzaldehyde. In the molecular structure, the plane of the non-fused benzene ring is twisted with respect to the planes of the two indole ring systems, exhibiting dihedral angles of 72.04 (7) and 72.24 (7)°, while the planes of the two indole ring systems are oriented at a dihedral angle of 87.05 (5)°. Neither hydrogen bonding nor π–π stacking is observed in the crystal structure.

3,4:12,13-Dibenzo-5,8,11-trioxo-1,15,18-triazonia-3,12-cycloeicosadiene tribromide

2007 ◽  
Vol 63 (3) ◽  
pp. o1383-o1384
Author(s):  
Yan Wang ◽  
Gang Liu ◽  
Ling Xie ◽  
Ji-De Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Macrocyclic Ligand ◽  
Compound C ◽  
Benzene Rings ◽  
Donor Type ◽  
The Mean

In the cation of the title compound, C22H34N3O3 3+·3Br−, a 20-membered N3O3 donor-type macrocyclic ligand, the mean of all nine N...O distances is 5.775 (2) Å and the dihedral angle between the two benzene rings is 33.5 (2)°. N—H...Br hydrogen bonding helps to stabilize the crystal structure.

scholarly journals Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from Nectandra leucantha Nees and Mart (Lauraceae)

2018 ◽  
Vol 74 (4) ◽  
pp. 518-521
Author(s):  
Simone S. Grecco ◽  
Gerold Jerz ◽  
Joao Henrique G. Lago ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methyl Ether ◽  
Title Compound ◽  
Side Chains ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Torsion Angles ◽  
Compound C

In the title compound, C21H24O4 (systematic name: 4,5′-diallyl-2,2′,3′-trimethoxydiphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96 (2)°]. The allyl side chains show similar configurations, with Car—C—C=C (ar = aromatic) torsion angles of −123.62 (12) and −115.54 (12)°. A possible weak intramolecular C—H...O interaction is observed. In the crystal, molecules are connected by two C—H...O hydrogen bonds, forming undulating layers lying parallel to the bc plane. Weak C—H...π and π–π stacking interactions also occur.

scholarly journals Crystal structure of (E)-1-methyl-2-[2-(2-methoxphenyl)ethenyl]-4-nitro-1H-imidazole

2014 ◽  
Vol 70 (9) ◽  
pp. o966-o967
Author(s):  
Hayette Alliouche ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network

In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphenyl)ethenyl unit is connected to the methyl-nitroimidazole 1-methyl-4-nitro-1H-imidazole moiety. The molecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by intermolecular C—H...O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong π–π stacking interactions are observed,viz.benzene–benzene, imidazole–imidazole and benzene–imidazole rings, with centroid–centroid distances of 3.528 (2), 3.457 (2) and 3.544 (2) Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.

scholarly journals 2-[(E)-(2-Aminophenyl)iminomethyl]-5-(dimethylamino)phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1232-o1232
Author(s):  
Yan-Hong Yu ◽  
Kun Qian
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Bonding Interaction ◽  
Benzene Rings

The molecule of the title compound, C17H21N3O, displays atransconfiguration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 50.96 (11)° and a strong intramolecular O—H...N hydrogen bond is present. An intermolecular N—H...O hydrogen-bonding interaction stabilizes the crystal structure.

(3R,5S,6R,8S,9S)-1-Azonia-9-ethyl-3-hydroxy-5-(6-methoxyquinolin-4-yl)-3-methyl-4-oxatricyclo[6.2.2.0]dodecane trifluoromethanesulfonate: insight into the sterochemistry of the cyclization mechanism

2006 ◽  
Vol 62 (7) ◽  
pp. o2864-o2865 ◽  
Author(s):  
Gema Antequera-García ◽  
Bernadette Norberg ◽  
Istvan E. Marko ◽  
Johan Wouters
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Relative Configuration ◽  
Compound C ◽  
Insight Into

The analysis of the crystal structure of the title compound, C23H31N2O3 +·CF3SO3 −, allowed the determination of the relative configuration at the five stereogenic centres.

scholarly journals Crystal structure of (E)-N-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide monohydrate

2015 ◽  
Vol 71 (6) ◽  
pp. 602-605 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Hydrogen Atoms ◽  
Torsion Angles ◽  
Compound C ◽  
Corrugated Sheets

The molecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the molecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between thep-toluenesulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H...O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H...O contacts present within the sheets.

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