scholarly journals Iodo(triphenyl)silane

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Frauke Schödel ◽  
Hans-Wolfram Lerner ◽  
Timo Trageser ◽  
Michael Bolte
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Space Group ◽  
Π Interactions ◽  
Compound C ◽  
Present Structure

The molecular structure of the title compound, C18H15ISi, which crystallizes in the space group C2/c, does not exhibit any unusual features. Two weak C—H...π interactions may help to consolidate the packing. The present structure is not isostructural with the known Ph3SiX (X = F, Cl or Br) compounds.

scholarly journals A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide

IUCrData ◽  
2019 ◽  
Vol 4 (4) ◽  
Author(s):  
Koji Ozaki ◽  
Tsunehisa Okuno
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Title Compound ◽  
Ethanol Solution ◽  
Dihedral Angles ◽  
Space Group ◽  
Π Interactions ◽  
Compound C ◽  
Molecular Arrangement ◽  
Solid State Polymerization

The title compound, C24H18N2O, was been described previously in the space group P21/c with Z = 4 [Kawashima & Okuno (2017). IUCrData, 2, x170277]. The current P\overline{1} polymorph was obtained from a chloroform–ethanol solution. The molecular structure in this polymorph is slightly different from the previously reported structure, with different dihedral angles of the two N-phenyl groups to the ynamine plane; these are 79.99 (11) and 12.09 (11)° in the polymorph reported here. The molecules form dimers through four C—H...π interactions. Furthermore, in this polymorph, the molecules stack along the a axis to form a molecular arrangement that would be suitable to promote the solid-state polymerization of diacetylenes.

Crystal and molecular structure of di-o-anisylketone

1985 ◽  
Vol 63 (12) ◽  
pp. 3374-3377 ◽  
Author(s):  
C. Faerman ◽  
S. C. Nyburg ◽  
G. Punte ◽  
B. E. Rivero ◽  
A. A. Vitale ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Twist Conformation ◽  
Oxygen Atoms

The crystal and molecular structure of the title compound, C15H14O3, is described. Crystals are monoclinic, space group P21/n, a = 9.893(5), b = 10.719(5), c = 12.136(3) Å, β = 90.56(3)°. The molecule has a twist conformation and interactions between oxygen atoms of the methoxyl groups are thought to play some part in this.

scholarly journals 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (4) ◽  
pp. o424-o425 ◽  
Author(s):  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimethoxy-2-nitrophenyl ring. The dihedral angle between the carbazole system and the dimethoxy-substituted nitrophenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The molecular structure is stabilized by C—H...O interactions which generate twoS(6) and oneS(7) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, formingR33(15) ring motifs, which are further crosslinked byR32(19) ring motifs, resulting in (002) layers. The crystal packing also features C—H...π interactions.

Notizen: Molekül- und Kristallstruktur des 2,4-Bis(diisopropylamino)-3-phenyl-1,3,2,4-thiazadiboretidins / Crystal and Molecular Structure of 2,4-Bis(diisopropylamino)-3-phenyl-1,3,2,4-thiazadiboretidine

1989 ◽  
Vol 44 (7) ◽  
pp. 853-856 ◽  
Author(s):  
Carl D. Habben ◽  
Mathias Noltemeyer
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Structure Refinement ◽  
Space Group ◽  
X Ray ◽  
Compound C

The title compound, C18H33B2N3S, isolated from the reaction of 3,5-bis(diisopropylamino)-1,2,4,3,5-dithiazadiborolidine with elemental sodium, crystallizes in space group P1̅ with cell constants a = 1034.3(6), b = 1230.4(8), c = 1728.5(12) pm, α = 97.50(6), β = 97.95(5), γ = 90.17(5)° and Z = 4. X-ray structure refinement converged at R = 0.087, wR = 0.085, w-1 = σ2(F0) + 0.004 Fo2. The fourmcmbered ring B2NS is planar, the angle B—S—B being 70°.

scholarly journals 2,2-Difluoro-3-(4-fluorophenyl)-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Błażej Dziuk ◽  
Borys Ośmiałowski ◽  
Anna Zakrzewska ◽  
Krzysztof Ejsmont ◽  
Bartosz Zarychta
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Space Group ◽  
Intermolecular Contacts

There is one independent molecule in the asymmetric unit of the title compound, C13H9BF3NO, which crystallizes in the non-centrosymmetric space groupCc. In the molecular structure, the BF2-carrying ring is distorted from planarity and its mean plane makes a dihedral angle of 42.3 (1)° with the 4-fluorophenyl ring. F atoms are involved in all of the short intermolecular contacts of the crystal structure, which link molecules to form chains along [001] and [010].

scholarly journals Crystal structure of methyl 1,3-benzoxazole-2-carboxylate

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Alexandre Poirot ◽  
Nathalie Saffon-Merceron ◽  
Nadine Leygue ◽  
Eric Benoist ◽  
Suzanne Fery-Forgues
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Space Group ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecules

The title compound, C9H7NO3, crystallizes in the monoclinic (P21) space group. In the crystal, the almost planar molecules display a flattened herringbone arrangement. Stacking molecules are slipped in the lengthwise and widthwise directions and are linked by π–π interactions [d(Cg...Cg = 3.6640 (11) Å]. The structure is characterized by strong C—H...N and weak C—H...O hydrogen bonds, and further stabilized by C–O...π interactions.

scholarly journals 1-(2-Bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1802-o1803 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C18H16BrNO3S, the dihedral angle between the phenyl ring and the indole ring system is 89.91 (11)°. The molecular structure features weak C—H...O and C—H...Br hydrogen bonds. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along thea-axis direction. The chains are further linked by C—H...π interactions, forming a layer parallel to theabplane.

scholarly journals Crystal structure ofrac-3-hydroxy-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one

2015 ◽  
Vol 71 (3) ◽  
pp. o143-o144
Author(s):  
Mehmet Aslantaş ◽  
Cumali Çelik ◽  
Ömer Çelik ◽  
Arzu Karayel
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C16H17NO2, the cyclohexene ring adopts a boat conformation, and the five-membered rings have envelope conformations with the bridging atom as the flap. Their mean planes are oriented at a dihedral angle of 86.51 (7)°. The molecular structure is stabilized by a short intramolecular C—H...O contact. In the crystal, molecules are linked by O—H...O hydrogen bonds forming chains propagating along [100]. The chains are linked by C—H...π interactions, forming slabs parallel to (001).

scholarly journals Crystal structure of a new polymorph of di(thiophen-3-yl) ketone

2017 ◽  
Vol 73 (10) ◽  
pp. 1560-1562
Author(s):  
Jörg Hübscher ◽  
André U. Augustin ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C9H6OS2, represents a new polymorph. The crystal structure was solved in the orthorhombic space groupPbcnwith one half of the molecule in the asymmetric unit. The thiophene rings are perfectly planar and twisted with respect to each other, showing the molecule to be in an S,O-trans/S,O-transconformation. In the crystal, C—H...O hydrogen bonds connect the molecules into layers extending parallel to theabplane. The crystal structure also features π–π interactions.

scholarly journals Two polymorphs of 2-(prop-2-yn-1-yloxy)naphthalene-1,4-dione: solvent-dependent crystallization

2018 ◽  
Vol 74 (12) ◽  
pp. 1731-1734
Author(s):  
Flaviano Melo Ottoni ◽  
Raquel Geralda Isidório ◽  
Ricardo José Alves ◽  
Nivaldo Lúcio Speziali
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Isopropyl Alcohol ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Monoclinic Crystal ◽  
Triclinic Space Group ◽  
Space Group ◽  
Π Interactions ◽  
Compound C

The title compound, C13H8O3, crystallizes in two polymorphs, namely the monoclinic (space groupP21/c) and triclinic (space groupPī) forms, obtained fromN,N-dimethylformamide and isopropyl alcohol solutions, respectively. The molecular structures and conformations in the two forms are essentially the same as each other. The naphthoquinone ring systems are essentially planar with r.m.s. deviations of 0.015 and 0.029 Å for the monoclinic and triclinic forms, respectively. TheO-propargyl groups are coplanar with the naphthoquinone units with r.m.s deviations ranging from 0.04 to 0.09 Å. In the monoclinic crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming a tape structure running along [120]. The tapes are further linked by a C—H...π interaction into a layer parallel to theabplane. Adjacent layers are linked by another C—H...π interaction. In the triclinic crystal, molecules are linkedviaC—H...O and π–π interactions, forming a layer parallel to theabplane. Adjacent layers are linked by a C—H...π interaction.

Sign in / Sign up

Export Citation Format

Share Document