scholarly journals 9-(2-Chlorophenyl)-4a-hydroxy-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione

2014 ◽  
Vol 70 (4) ◽  
pp. o442-o443 ◽  
Author(s):  
Qiu-Ling Liu ◽  
Xin-Yan Wu ◽  
Feng Gao ◽  
Dan Bao ◽  
Fang-Ming Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Chair Conformation ◽  
The Other ◽  
Cyclohexane Ring ◽  
Carbonyl Groups ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean

In the title compound, C19H19ClO4, the dihydropyran ring and the cyclohexane ring adopt a half-chair conformation and a chair conformation, respectively. The cyclohexene ring has an envelope conformation with the central CH2C atom as the flap. This atom is disordered over two positions [site-occupancy ratio = 0.744 (12):0.256 (12)] above and below the mean plane formed by the other five atoms. In the crystal, O—H...O hydrogen bonds between hydroxy and carbonyl groups link molecules into chains propagating along [001].

1-Hydroxycyclohexanecarboxylic acid

2007 ◽  
Vol 63 (11) ◽  
pp. o4213-o4213
Author(s):  
Liang-zhong Xu ◽  
Guang-Wei An ◽  
Xu-Dong Yang ◽  
Xu Yi
Keyword(s):  
Hydrogen Bonds ◽  
Broad Spectrum ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Cyclohexane Ring ◽  
Compound C ◽  
Trade Name

The title compound, C7H12O3, was synthesized as an intermediate for the synthesis of the selective broad-spectrum nonsystemic acaricide spirodiclofen (trade name Envidor). The cyclohexane ring adopts a chair conformation. The molecules pack in layers, with O—H...O hydrogen bonds connecting the layers on one side and only van der Waals interactions on the other side.

scholarly journals Crystal structure of methyl 7-phenyl-6a,7,7a,8,9,10-hexahydro-6H,11aH-thiochromeno[3,4-b]pyrrolizine-6a-carboxylate

2015 ◽  
Vol 71 (8) ◽  
pp. o627-o628
Author(s):  
M. P. Savithri ◽  
M. Suresh ◽  
R. Raghunathan ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Site Occupancy ◽  
Chair Conformation ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C22H23NO2S, the inner pyrrolidine ring (A) adopts an envelope conformation with the methine C atom opposite the fused C—N bond as the flap. The thiopyran ring (C) has a half-chair conformation and its mean plane is inclined to the fused benzene ring by 1.74 (11)°, and by 60.52 (11)° to the mean plane of pyrrolidine ringA. In the outer pyrrolidine ring (B), the C atom opposite the fused C—N bond is disordered [site-occupancy ratio = 0.427 (13):0.573 (13)] and both rings have envelope conformations, with the disordered C atom as the flap. The planes of the phenyl ring and the benzene ring of the thiochromane unit are inclined to one another by 65.52 (14)°. In the crystal, molecules are linked by a pair of C—H...O hydrogen bonds forming inversion dimers.

scholarly journals 9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[c]chromene-3,2′-[1,3]dioxolane]

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
I. Ayswariya ◽  
P. Rajalakshmi ◽  
R.V. Krishnakumar ◽  
N. Srinivasan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Pyran Ring ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean ◽  
Chromene Ring

In the title compound, C15H15FO3, the dihedral angle between the mean plane through all the non-H atoms of the dioxolane ring with those of the rest of the atoms of the chromene ring system, including the substituent F atom, is 81.1 (1)°. The pyran ring has an envelope conformation with the O atom as the flap. The cyclohexene ring has a half-chair conformation, while the dioxolane ring has a twisted conformation on an –O—CH2– bond. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains along [100]. The chains are linked by C—H...π interactions, involving the fluorobenzene ring, forming layers parallel to theacplane.

scholarly journals N-Cyclohexyl-2-oxo-2-phenylacetamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1948-o1948 ◽  
Author(s):  
Ze-Jun Jia ◽  
Jin-Long Wu
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Carbonyl Groups ◽  
Compound C ◽  
A Chain

In the title compound, C14H17NO2, the two carbonyl groups are oriented with respect to each other with a torsion angle of −129.9 (3)°. The cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by N—H...O hydrogen bonds into a chain running along the a axis.

scholarly journals {2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone

2014 ◽  
Vol 70 (5) ◽  
pp. o581-o582 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Thammarse S. Yamuna ◽  
H. S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C23H20BrNO2S, disorder was modeled for the outer two C atoms of the cyclohexene ring over two sets of sites with an occupancy ratio of 0.580 (11):0.420 (11). Both rings have a half-chair conformation. The dihedral angles between the mean plane of the thiophene ring and the benzene and phenyl rings are 9.2 (2) and 66.1 (2)°, respectively. The benzene and phenyl rings are inclined to each other by 74.8 (8)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers.

scholarly journals 9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1606-o1606 ◽  
Author(s):  
Malahat M. Kurbanova ◽  
Atash V. Gurbanov ◽  
Kamran T. Mahmudov ◽  
Abel M. Maharramov ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Fused Ring ◽  
The Mean ◽  
A Chain ◽  
Fused Ring System

The cyclohexene ring that constitutes a part of the tetrahydroxanthene fused-ring system of the title compound, C23H26O4, adopts a flattened half-chair conformation that approximates an envelope conformation (in which the methylene C atom bearing the two methyl substituents represents the flap) as five of the six atoms lie approximately on a plane (r.m.s. deviation = 0.020 Å). The mean plane of the cyclohexene ring with the hydroxy substituent is approximately perpendicular to the mean plane of the tetrahydroxanthene system. In the crystal, adjacent molecules are linked by O—H...Ocarbonyl hydrogen bonds into a chain running along the b axis.

scholarly journals Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane

2013 ◽  
Vol 69 (11) ◽  
pp. o1669-o1669
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Envelope Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C25H32N4O4, both piperazine rings adopt a chair conformation. One of dioxolane ring systems is essentially planar [dihedral angle = 0.9 (2)°] while the other adopts a slightly disordered envelope conformation, the mean plane of the dioxolane ring being twisted by 3.6 (2)° from that of the benzene ring. The dihedral angle between the benzene rings is 69.9 (5)°. No classical hydrogen bonds were observed.

scholarly journals 1-(5-Benzylsulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1228-o1228
Author(s):  
Mohd Sukeri Mohd Yusof ◽  
Fatimah Abdul Mutalib ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Minor Component ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Compound C ◽  
Twist Conformation ◽  
Thiadiazole Ring ◽  
The Mean

In the title compound, C16H22N2OS2, the S atom of the thiadiazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641 (11):0.359 (11). The thiadiazole ring is in a twist conformation in both disorder components. The mean plane through the thiadiazole ring makes dihedral angles of 77.39 (8) (major component) and 67.45 (11)° (minor component) with the benzene ring. Intramolecular C—H...N interactions generate twoS(6) ring motifs. In the crystal, molecules are linked by C—H...O hydrogen bonds into zigzag chains parallel to thebaxis.

scholarly journals Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis(furan-2-yl)-4-hydroxy-4-(thiophen-2-yl)cyclohexane-1,3-diyl]bis(thiophen-2-ylmethanone)

2016 ◽  
Vol 72 (7) ◽  
pp. 976-979 ◽  
Author(s):  
Ísmail Çelik ◽  
Cem Cüneyt Ersanlı ◽  
Mehmet Akkurt ◽  
Hayrettin Gezegen ◽  
Rahmi Köseoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Furan Ring ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C28H22O5S3, the central cyclohexane ring adopts a chair conformation. The atoms of the furan ring attached to the 6-position of the central cyclohexane ring are disordered over two sets of sites with occupancies of 0.832 (5) and 0.168 (5). The hydroxy group is disordered over two positions (at the 4- and 6-positions of the cyclohexane ring) in the ratio 0.832 (5):0.168 (5). In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, forming layers parallel to (100).

scholarly journals 5′′-(4-Methoxybenzylidene)-1′-(4-methoxyphenyl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octahydrodispiro[acenaphthylene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o256-o257 ◽  
Author(s):  
J. Suresh ◽  
R. A. Nagalakshmi ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Piperidine Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Puckering Parameters ◽  
Centrosymmetric Dimers

In the title compound, C39H38N2O4, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methylene C atom adjacent to the octahydroindolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octahydroindolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parametersQ= 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C—H...O interactions form centrosymmetric dimers, which are further connected by C—H...π interactions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.

Sign in / Sign up

Export Citation Format

Share Document