Crystal structure of 1,6-anhydro-1(6)-thio-β-D-glucopyranose S-oxide

1991 ◽  
Vol 56 (10) ◽  
pp. 2169-2174 ◽  
Author(s):  
Jiří Novotný ◽  
Jaroslav Podlaha ◽  
Miloslav Černý
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Direct Methods ◽  
Orthorhombic Space Group ◽  
Space Group

The crystals of the title compound are orthorhombic, space group P212121, a = 6.193(1), b = 6.3734(7), c = 38.553(6)Å, Z = 8. The structure was solved by direct methods and refined to R = 0.035 for 1 460 independent reflections. It is composed of two crystallographically independent but chemically almost identical molecules. The structure is stabilized by hydrogen bonding characterized by strong participation of the sulfoxide groups. A comparison with the structure of the thio derivative demonstrates that the exo-sulfoxide oxygen influences very little the overall conformation of the bicyclic skeleton.

Structure of 3α,4α:5β,6β-Diepoxyandrostan-17-one

1983 ◽  
Vol 36 (11) ◽  
pp. 2333 ◽  
Author(s):  
B Kamenar ◽  
RA Pauptit ◽  
JM Waters
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

The X-ray crystal structure of 3α,4α:5β,6β-diepoxyandrostan-17-one has been determined. Crystals of the title compound (C19H26O3)are monoclinic, space group P21, with a 9.208(2), b 9.620(4), c 9.312(3) �, β 99.14(2)�, V 814.5 Ǻ3 and Z 2. The structure was solved by direct methods and refined to R 0.039 for 887 observed reflexions. The 3α,4α:5β,6β configuration of the epoxide rings confirms the assignment based on proton n.m.r. studies.

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.

The X-Ray Crystal Structure of 1,2-3,4-Di-O-isopropylidene-4-C-methylthiomethoxy-β-L-arabino-hexoseptanos-5-ulose

1990 ◽  
Vol 43 (12) ◽  
pp. 2083 ◽  
Author(s):  
DC Craig ◽  
VJ James ◽  
JD Stevens
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound (1) has been determined by X-ray diffraction. Crystals of (1) are orthorhombic, space group P21212 with a 11.425(1), b 24.916(1), c 5.8952(3)Ǻ, Z 4. Refinement on 1675 observed reflections measured with Cu Kα radiation converged at R 0.034. The seven- membered ring adopts a boat conformation in which the pseudo plane of symmetry passes through the ring oxygen.

Structure of 2,3,4,5-Tetra-O-acetyl-6-amino-6-deoxy-D-allonolactam

1992 ◽  
Vol 57 (11) ◽  
pp. 2367-2373 ◽  
Author(s):  
Jan Ondráček ◽  
Jaroslav Havlíček ◽  
Karel Kefurt ◽  
Jiří Jarý ◽  
Jiří Novotný ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Direct Methods ◽  
Lattice Parameters ◽  
Helical Chain ◽  
Space Group ◽  
Bond Forming

The crystal structure of 2,3,4,5-tetra-O-acetyl-6-amino-6-deoxy-D-allonolactam was solved by direct methods and refined anisotropically to R = 0.085 for 1345 unique observed reflections. The title compound crystallizes in A2 space group with the lattice parameters a = 11.756(4), b = 8.139(3), c = 23.713(11) Å, β = 116.71(4)°, V = 2027(2) Å3, Z = 4. The ring of 2,3,4,5-tetra-O-acetyl-6-amino-6-deoxy-D-allonolactam adopts the 4C1,N(D) conformation with the planar arrangement of the C(6)-NH-C(1)O-C(2) atoms. In the crystal structure the adjacent molecules of this lactam are bonded by one intermolecular hydrogen bond, forming a helical chain.

Polysulfonylamine, CIII [1] Ein Hydroxylamin mit bemerkenswert kurzer O-N-B Bindung: Kristall- und Molekülstruktur von MeO-N(SO2Me)2 / Polysulfonylamines, C III [1] A Hydroxylamine with a Remarkably Short O-N Bond: Crystal and Molecular Structure of MeO-N(SO2Me)2

1998 ◽  
Vol 53 (5-6) ◽  
pp. 634-636 ◽  
Author(s):  
Martina Näveke ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Low Temperature ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Angles

Abstract The crystal structure of the known title compound was determined by low-temperature X-ray diffraction (orthorhombic, space group Pbcn, Z = 4). The molecule displays an unusually short O-N bond, a relatively long C-O bond and a moderately pyramidal O-NS2 skeleton (O-N 133.1, C-O 148.5 pm, sum of bond angles at N: 347.4°).

The Crystal and Molecular Structure of Butorphanol Hydrogen Tartrate

1994 ◽  
Vol 59 (6) ◽  
pp. 1361-1367 ◽  
Author(s):  
Alexandr Jegorov ◽  
Roman Sobotík ◽  
Svetlana Pakhomova ◽  
Jan Ondráček ◽  
Jiří Novotný ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Chair Conformation ◽  
Triclinic Space Group ◽  
Space Group

The structure of butorphanol hydrogen tartrate {(9R,13S,14S)-(-)-17-(cyclobutylmethyl)morphinan-3,14-diol (2S,3S)-(-)-hydrogen tartrate} (C21H29NO2 .C4H6O6) was solved by direct methods and refined anisotropically to the R value of 0.029 for 2 069 observed reflections. The title morphine analogue crystallizes in the triclinic space group P1 with lattice parameters a = 7.620(1), b = 9.140(1), c = 9.591(1) Å, α = 105.48(1), β = 112.91(1), γ = 84.29(1)°, Z = 1. The butorphanol B ring possesses the 3E envelope conformation with small 3H2 distortion, C and D rings have a regular chair conformation. The intramolecular N17-H17...O2 hydrogen bond is observed in crystal structure of the title compound. The butorphanol and hydrogen tartrate molecules are joined together by means of O2-H(O2)...O7, O1-H(O1)...O7' and O3-H(O3)...O8" hydrogen bonds to form networks.

scholarly journals 4-Fluoro-2-({[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol

IUCrData ◽  
2020 ◽  
Vol 5 (12) ◽  
Author(s):  
Fanrui Sha ◽  
Adam R. Johnson
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Title Compound ◽  
Tertiary Alcohol ◽  
Orthorhombic Space Group ◽  
Alcohol Group ◽  
Space Group ◽  
Compound C ◽  
Hydrogen Bonding Network

The title compound, C28H24FNO2, crystallizes in the orthorhombic space group P212121. A hydrogen-bonding network between the tertiary alcohol group and the fluoro substituent results in [010] chains in the solid state.

1,1-Diphenylbutane-1,3-diol: the First Structurally Characterized Example of an Intramolecularly Hydrogen-Bonded Open-Chain 1,3-diol

1996 ◽  
Vol 49 (11) ◽  
pp. 1251
Author(s):  
CF Carvalho ◽  
DP Arnold ◽  
RC Bott ◽  
G Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Orthorhombic Space Group ◽  
Open Chain ◽  
Space Group ◽  
A Cell ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups ◽  
Hydrogen Bonded

The crystal structure of the asymmetric 1,3-diol 1,1-diphenylbutane-1,3-diol has been determined and refined to a residual R of 0.039 for 795 observed reflections. Crystals are orthorhombic, space group P212121, with four molecules in a cell of dimensions a 9.625(4), b 16.002(3), c 8.834(3) Ǻ. The compound is unique among the known crystallographically characterized open-chain 1,3-diols in having only intramolecular hydrogen bonding involving the hydroxy groups [O-- -O 2.602(5) Ǻ].

Cis-2-telluro-1.3.2λ5.4λ3-diazadiphosphetidin - Kristallstruktur eines in Lösung fluktuierenden Redoxsystems / Cis-2-telhirium-1.3.2λ5.4λ3-diazadiphosphetidine - Crystal Structure of a Redox System Fluctuating in Solution

1978 ◽  
Vol 33 (6) ◽  
pp. 610-613 ◽  
Author(s):  
Siegfried Pohl
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Bond Length ◽  
Title Compound ◽  
Redox System ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Nitrogen Ring

Abstract The crystal structure of the title compound was determined from single crystal X-ray data. The compound crystallises in the orthorhombic space group Pnma. In contrast to the solution where fluctuating P-Te bonds have been established by NMR analyses the crystals contain isolated molecules with fixed P-Te bonds (bond length: 235.4 pm). The four-membered phosphorus nitrogen ring exhibits significant deviations from planarity. The P-N bond lengths were found to be 168.3 and 175.0 pm, respectively

scholarly journals Zur Stereochemie des freien Elektronenpaares in AX6E-Systemen, IX+ Statisch verzerrtes Anion in [(CH3)2HN(C6H4)NH(CH3)2]TeCl6 / On the Stereochemistry of the Lone-Pair Electrons in AX6E-Systems, IX+ Statically Distorted Anion in [(CH3)2HN(C6H4)NH(CH3)2]TeCl6

1990 ◽  
Vol 45 (5) ◽  
pp. 573-578 ◽  
Author(s):  
André du Bois ◽  
Walter Abriel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Lone Pair ◽  
Intensity Data ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lone Pair Electrons ◽  
Symmetry Rules

Using 293 K diffractometer intensity data, the crystal structure of [(CH3)2HN(C6H4)NH(CH3)2]TeCl6 has been determined by single crystal X-ray technique and refined to a final Rw of 0.022. The yellow crystals are orthorhombic, space group Pna 21, with a = 17.565(2), b = 8.4496(6), c = 12.572(1) Å and Z = 4. The TeCl62- anions show a strong statical distortion with Te—Cl distances from min. 2.39 to max. 2.78 A. The symmetry rules for the stereochemistry of the lone pair electrons in AX6E-systems are confirmed. The influence of hydrogen bonding on the type of distortion is also discussed.

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