scholarly journals Crystal structure of 6-deoxy-α-L-psicofuranose

2015 ◽  
Vol 71 (12) ◽  
pp. o993-o994
Author(s):  
Akihide Yoshihara ◽  
Tomohiko Ishii ◽  
Tatsuya Kamakura ◽  
Hiroaki Taguchi ◽  
Kazuhiro Fukada
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Cell Volume ◽  
Title Compound ◽  
Room Temperature ◽  
Ring Structure ◽  
Compound C

The title compound, C6H12O5, was crystallized from an aqueous solution of 6-deoxy-L-psicose (6-deoxy-L-allulose, (3S,4S,5S)-1,3,4,5-tetrahydroxyhexan-2-one), and the molecule was confirmed as α-furanose with a3T4(orE4) conformation, which is a predominant tautomer in solution. This five-membered furanose ring structure is the second example in the field of the 6-deoxy-ketohexose family. The cell volume of the title compound [742.67 (7) Å3,Z= 4 at room temperature] is only 1.4% smaller than that of β-D-psicopyranose, C6H12O6(753.056 Å3,Z= 4 at room temperature).

scholarly journals Crystal structure of β-D,L-psicose

2015 ◽  
Vol 71 (5) ◽  
pp. o289-o290 ◽  
Author(s):  
Tomohiko Ishii ◽  
Genta Sakane ◽  
Akihide Yoshihara ◽  
Kazuhiro Fukada ◽  
Tatsuya Senoo
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Cell Volume ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C6H12O6, a C-3 position epimer of fructose, was crystallized from an aqueous solution of equimolar mixture of D- and L-psicose (1,3,4,5,6-pentahydroxyhexan-2-one,ribo-2-hexulose, allulose), and it was confirmed that D-psicose (or L-psicose) formed β-pyranose with a2C5(or5C2) conformation. In the crystal, an O—H...O hydrogen bond between the hydroxy groups at the C-3 and C-2 positions connects homochiral molecules into a column along thebaxis. The columns are linked by other O—H...O hydrogen bonds between D- and L-psicose molecules, forming a three-dimensional network. An intramolecular O—H...O hydrogen bond is also observed. The cell volume of racemic β-D,L-psicose [763.21 (6) Å3] is almost the same as that of chiral β-D-psicose [753.06 Å3].

scholarly journals Crystal structure of β-D,L-fructose

2015 ◽  
Vol 71 (10) ◽  
pp. o719-o720 ◽  
Author(s):  
Tomohiko Ishii ◽  
Tatsuya Senoo ◽  
Akihide Yoshihara ◽  
Kazuhiro Fukada ◽  
Genta Sakane
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Equimolar Mixture ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C6H12O6, was crystallized from an aqueous solution of equimolar mixture of D- and L-fructose (1,3,4,5,6-pentahydroxyhexan-2-one,arabino-hexulose or levulose), and it was confirmed that D-fructose (or L-fructose) formed β-pyranose with a2C5(or5C2) conformation. In the crystal, two O—H...O hydrogen bonds between the hydroxy groups at the C-1 and C-3 positions, and at the C-4 and C-5 positions connect homochiral molecules into a column along theaaxis. The columns are linked by other O—H...O hydrogen bonds between D- and L-fructose molecules, forming a three-dimensional network.

scholarly journals 1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene at 90 K

2012 ◽  
Vol 68 (8) ◽  
pp. o2538-o2538
Author(s):  
Brandon W. Jenkins ◽  
Frank R. Fronczek ◽  
Steven F. Watkins
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Title Compound ◽  
Room Temperature ◽  
Bond Angle ◽  
Average Bond Length ◽  
Volume Contraction ◽  
Compound C ◽  
Independent Unit ◽  
Average Bond

The previously reported room-temperature crystal structure [Jaud Baldy, Negrel, Poite & Chanon (1993).Z. Kristallogr.204, 289–291] of the title compound, C20H8Cl12, is monoclinic withZ′ = 1, whereas the 90 K structure reported herein is triclinic withZ′ = 2 and shows a 2% volume contraction. The crystallographically independent unit chosen consists of both enantiomers (Λ and Δ) of this propeller-like molecule. Both enantiomers display quasi-twofold symmetry, with average bond-length/bond-angle deviations of 0.0018 (4) Å and 0.41 (2)° for Λ, and 0.0026 (4) Å and 0.50 (2)° for Δ.

scholarly journals α-D,L-Sorbose

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Hiroaki Taguchi ◽  
Kouta Sogo ◽  
Tomohiko Ishii ◽  
Akihide Yoshihara ◽  
Kazuhiro Fukada
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Three Dimensional ◽  
Equimolar Mixture ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The racemic title compound, C6H12O6, consisting of C-4 epimers of psicose, was crystallized from an aqueous solution of an equimolar mixture of D- and L-sorboses. It was confirmed that D-sorbose (or L-sorbose) formed α-pyranose with a 4 C 1 (or 1 C 4) conformation where the anomer position was designated as carbon-1. The asymmetric unit comprises two crystallographically independent molecules. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming a three-dimensional framework. The unit-cell volume of the title racemic α-D,L-sorbose is 1450.86 (6) Å3 (Z = 8), which is about 41 Å3 smaller than that of twice the amount of chiral α-L-sorbose [V = 745.942 Å3 (Z = 4)].

6,7-Dimethyl-3a,8a-dihydro-3H-8-oxacyclopenta[a]inden-5-yl benzoate

2000 ◽  
Vol 57 (1) ◽  
pp. o37-o38
Author(s):  
Mátyás Czugler ◽  
Petra Bombicz
Keyword(s):  
Crystal Structure ◽  
Intramolecular Cyclization ◽  
Structure Determination ◽  
Title Compound ◽  
Room Temperature ◽  
Sigmatropic Rearrangement ◽  
Crystal Structure Determination ◽  
Aryl Ether ◽  
Compound C ◽  
One Step

The title compound, C20H18O3, was prepared in a one-step synthesis by intramolecular cyclization following the sigmatropic rearrangement of the allyl aryl ether intermediate. The room-temperature crystal structure determination reveals acisconformation of the ring annellation.

1-[1-(2-Chlorophenyl)ethylidene]thiosemicarbazide

2007 ◽  
Vol 63 (3) ◽  
pp. o1160-o1161 ◽  
Author(s):  
Jian-Gang Wang ◽  
Fang-Fang Jian ◽  
Xiao-Yan Ren ◽  
Shi-Hong Kan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
Two Dimensional ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C9H10CIN3S, was prepared by the reaction of thiosemicarbazide with 1-(2-chlorophenyl)ethanone at room temperature. The packing is stabilized by hydrogen bonds. In the crystal structure, molecules are linked into two-dimensional layers by intermolecular N—H...S hydrogen-bonding interactions.

scholarly journals Crystal structure of β-D,L-allose

2015 ◽  
Vol 71 (2) ◽  
pp. o139-o139 ◽  
Author(s):  
Tomohiko Ishii ◽  
Tatsuya Senoo ◽  
Taro Kozakai ◽  
Kazuhiro Fukada ◽  
Genta Sakane
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Cell Volume ◽  
Title Compound ◽  
Three Dimensional ◽  
Equimolar Mixture ◽  
Bond Forming ◽  
Compound C

The title compound, C6H12O6, a C-3 position epimer of glucose, was crystallized from an equimolar mixture of D- and L-allose. It was confirmed that D-allose (L-allose) formed β-pyranose with a4C1(1C4) conformation in the crystal. In the crystal, molecules are linked by O—H...O hydrogen bond, forming a three-dimensional framework. The cell volume of the racemic β-D,L-allose is 739.36 (3) Å3, which is about 10 Å3smaller than that of chiral β-D-allose [V= 751.0 (2) Å3].

scholarly journals Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane

2014 ◽  
Vol 70 (3) ◽  
pp. o266-o266 ◽  
Author(s):  
Augusto Rivera ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Room Temperature ◽  
Van Der Waals ◽  
The Other ◽  
Site Symmetry ◽  
Asymmetric Unit ◽  
Temperature Study ◽  
Compound C ◽  
Van Der Waals Contacts

The structure of the title compound, C8H16N4, which consists of four fused seven-membered rings, has been redetermined at 173 K. This redetermination corrects the orientation of two H atoms, which were located at unrealistic positions in the original room-temperature study [Murray-Rust (1974).J. Chem. Soc. Perkin Trans. 2, pp. 1136–1141]. The complete molecule is generated by -42msymmetry, with one quarter of a molecule [one N atom (site symmetrym), two C atoms (one with site symmetrymand the other with site symmetry 2) and two H atoms] in the asymmetric unit. No directional interactions beyond van der Waals contacts are apparent in the crystal structure.

scholarly journals Sulfathiazolium nitrate monohydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1573-o1574
Author(s):  
Afroza Banu ◽  
G. M. Golzar Hossain
Keyword(s):  
Crystal Structure ◽  
Nitric Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Network Of Hydrogen Bonds ◽  
Dilute Nitric Acid

The title compound, C9H10N3O2S2 +·NO3 −·H2O, was obtained from a solution of sulfathiazole in dilute nitric acid at room temperature. The crystal structure is stabilized by a network of hydrogen bonds and van der Waals interactions.

Crystal structure of 12H+-2,4-benzo-1,5-dioxa-8,12,16-triaza-cyclooctadec-2-ene-7,17-dione picrate

2002 ◽  
Vol 217 (1) ◽  
Author(s):  
G. Hundal ◽  
S. Kumar ◽  
M. S. Hundal ◽  
H. Singh
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Compound C

AbstractThe title compound [C

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