scholarly journals (2R,4S,5S)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate

IUCrData ◽  
2021 ◽  
Vol 6 (9) ◽  
Author(s):  
Ann-Christin Schmidt ◽  
Lyuba Iovkova ◽  
Martin Hiersemann
Keyword(s):  
Crystal Structure ◽  
Total Synthesis ◽  
Absolute Configuration ◽  
Title Compound ◽  
Anomalous Dispersion ◽  
Allylic Alcohol ◽  
Compound C ◽  
Stereogenic Centers ◽  
The Absolute

The title compound, C16H20O4, was synthesized in the course of the total synthesis of fusaequisin A in order to verify and confirm the configurations of the stereogenic centers and to exclude the possibility of epimerization during the methylation process. The crystal structure of the title compound at 100 K has orthorhombic (P212121) symmetry. The absolute configuration was determined by anomalous dispersion and agrees with the configuration of the allylic alcohol used in the synthesis.

(3R,4R)-(–)-3-Hydroxymethyl-4-phenyl-2-o-toluoyl-1,2,3,4-tetrahydroisoquinoline

2006 ◽  
Vol 62 (5) ◽  
pp. o1774-o1776 ◽  
Author(s):  
Andrzej Gzella ◽  
Maria Chrzanowska ◽  
Agnieszka Dreas ◽  
Michał S. Kaczmarek ◽  
Zenon Woźniak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Phenyl Ring ◽  
Heterocyclic Ring ◽  
Hydroxymethyl Group ◽  
Envelope Conformation ◽  
Compound C ◽  
The Absolute

The absolute configuration of the title compound, C24H23NO2, has been confirmed as 3R,4R. The hydroxymethyl group and phenyl ring at the asymmetric C atoms exhibit α and β orientations, respectively, and the non-planar heterocyclic ring of the tetrahydroisoquinoline system adopts an envelope conformation. The crystal structure is stabilized through hydrogen bonds.

(3aS,5aR,6R,8aR)-3a-Hydroxy-5a-methyl-6-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-3a,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[e]benzofuran-2-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4196-o4196
Author(s):  
Wen-liang Wang ◽  
Hong-wen Tao ◽  
Wei Sun ◽  
Qian-Qun Gu ◽  
Wei-Ming Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Optical Rotation ◽  
Side Chain ◽  
Compound C ◽  
Extended Chain ◽  
Halotolerant Fungus ◽  
The Absolute

The title compound, C21H32O3, also known as dimethylincisterol A3, was isolated from halotolerant fungus THW-18. It is composed of three fused rings and a side chain. In the crystal structure, the molecules interact with each other via O—H...O hydrogen bonds, resulting in an extended chain along the b axis. The absolute configuration was assigned from the measured optical rotation and reference to the literature.

(1R,4S,8R,12S,13S,14R,16S,19R)-14-Hydroxy-7,7-dimethyl-17-methylene-2,9,18-trioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-19-yl acetate

2007 ◽  
Vol 63 (11) ◽  
pp. o4439-o4439
Author(s):  
Hao Shi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
The Absolute

The title compound, C22H26O8, prepared from the natural diterpenoid Macrocalyxin J, is built up from five fused rings. Cyclohenane ring A adopts a chair conformation, ring B exists in a screw-boat conformation and ring C adopts a boat conformation; the two five membered rings adopt envelope conformations. Two unique molecules are present in the asymmetric unit; both independent molecules have the same absolute configuration, the absolute configuration being deduced from the chirality of Macrocalyxin A, which was isolated from the same plant (i.e. Rabdosia macrocalyx) as Macrocalyxin J. The crystal structure displays intermolecular O—H...O hydrogen bonds.

scholarly journals Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol

2015 ◽  
Vol 71 (1) ◽  
pp. 79-81 ◽  
Author(s):  
Rachid Outouch ◽  
Saadia Oubaassine ◽  
Mustapha Ait Ali ◽  
Larbi El Firdoussi ◽  
Anke Spannenberg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
Synthetic Procedure ◽  
Independent Molecules ◽  
The Absolute

The asymmetric unit of the title compound, C14H25NO3, contains two independent molecules with similar geometry. The morpholine and cyclohexane rings of both molecules adopt a chair conformation. Intramolecular O—H...N hydrogen bonds are observed. In the crystal, molecules are linked by O—H...O hydrogen bonds into chains parallel to the [101] direction. The chains are further connected through C—H...O hydrogen bonds forming undulating layers parallel to the (-101) plane. The absolute configuration was assigned by reference to an unchanging chiral centre in the synthetic procedure.

(+)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)propyl]-N-[(R)-2-methyl-1-phenylpropyl]ammonium chloride

2006 ◽  
Vol 62 (7) ◽  
pp. o2622-o2624 ◽  
Author(s):  
Xiao-Feng Yang ◽  
Da-Qi Wang ◽  
Guang-You Zhang ◽  
Takuji Hirose
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ammonium Chloride ◽  
Absolute Configuration ◽  
Title Compound ◽  
Condensation Reaction ◽  
Compound C ◽  
The Absolute ◽  
Phenol Ring

The title compound, C20H28NO+·Cl−, was synthesized by a condensation reaction. The absolute configuration of the new stereogenic centre (the C atom between the N atom and the phenol ring) was determined as R. The crystal structure is stabilized through N—H...Cl and O—H...Cl hydrogen bonds and intramolecular N—H...O hydrogen bonding.

(1′S,2′S,5′R)-3-(2-Bromopropionyl)-2′-isopropyl-5′-methylspiro[2H-1,3-benzoxazine-2,1′-cyclohexan]-4(3H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o3011-o3012 ◽  
Author(s):  
Qing Yuan ◽  
Ming Lei
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Anomalous Scattering ◽  
Compound C ◽  
Scattering Effects ◽  
The Absolute

The absolute configuration of the title compound, C20H26BrNO3, was determined from both the synthetic precursor and anomalous scattering effects. In the crystal structure, non-classical C—H...O hydrogen bonds link the molecules into a sheet parallel to the b axis.

Crystal structure of camphor-1,4-homoenol p-bromobenzoate

1980 ◽  
Vol 58 (24) ◽  
pp. 2805-2807 ◽  
Author(s):  
Richard A. Pauptit ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Absolute Configuration ◽  
Title Compound ◽  
Membered Ring ◽  
Fourier Methods ◽  
Bond Angles ◽  
Compound C ◽  
The Absolute ◽  
Considerable Strain

Crystals of the title compound, C17H19BrO2, are orthorhombic, P212121, a = 6.875(1), b = 8.522(2), c = 26.658(6) Å, Z = 4. The structure was determined by Patterson and Fourier methods, and refined to R = 0.045 for 697 reflections with I ≥ 3σ(I); the absolute configuration was established. The four-membered ring is tightly folded, and bond angles in the vicinity of this ring indicate considerable strain.

scholarly journals Crystal structure of methyl (2R,3S)-3-[(tert-butylsulfinyl)amino]-2-fluoro-3-phenylpropanoate

2015 ◽  
Vol 71 (12) ◽  
pp. o1055-o1056
Author(s):  
Zhiwei Zhao ◽  
Wenqiang Fan ◽  
Yixiang Zhang ◽  
Ya Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C ◽  
Chiral Carbon ◽  
The Absolute

The title compound, C14H20FNO3S, contains two chiral carbon centres and the absolute configuration has been confirmed as (2R,3S). In the crystal, adjacent molecules are linked by weak C—H...O hydrogen bonds, generating zigzag chains along thea-axis direction.

(R)-1-(2-Hydroxy-5-methylphenyl)-N-[(S)-1-(2-methoxy-5-methylphenyl)-2-phenylethyl]butan-1-aminium chloride

2007 ◽  
Vol 63 (11) ◽  
pp. o4368-o4369
Author(s):  
Guang-You Zhang ◽  
Ming Li ◽  
Wan-Hui Wang ◽  
Xun-Gang Gu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Compound C ◽  
The Absolute ◽  
Stereogenic Center

2-{(R)-1-[(S)-1-(2-Methoxy-5-methylphenyl)-2-phenylethylamino]butyl}-4-methylphenol has been synthesized and its absolute configuration determined from the crystal structure of its hydrochloride, the title compound, C27H34NO2 +·Cl−. The absolute configuration of the stereogenic center that carries the 2-methoxy-5-methylphenyl substituent was found to be R. Intermolecular N—H...Cl and O—H...Cl and intramolecular N—H...O hydrogen bonds stabilize the structure.

scholarly journals Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)methyl]-2-isopropyl-5,5′-dimethyldihydro-2′H-spiro[cyclohexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1081-1084
Author(s):  
Siwar Ghannay ◽  
Jihed Brahmi ◽  
Soumaya Nasri ◽  
Kaïss Aouadi ◽  
Erwann Jeanneau ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Compound C ◽  
The Absolute

In the title compound, C24H32BrN3O2, the six-membered cyclohexane ring adopts a chair conformation and the isoxasolidine ring adopts a twisted conformation. The molecule has five chiral centres and the absolute configuration has been determined in this analysis. The molecular structure is stabilized by weak intramolecular C—H...O and C—H...N contacts. In the crystal, molecules are linked by N—H...N and C—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane.

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