scholarly journals The crystal structure of 2-[(tert-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one

IUCrData ◽  
2019 ◽  
Vol 4 (4) ◽  
Author(s):  
Martin J. Di Grandi ◽  
Brett Taylor ◽  
Peter W. R. Corfield
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carbonyl Group ◽  
Torsion Angle ◽  
Title Compound ◽  
Borohydride Reduction ◽  
Protecting Group ◽  
Related Molecule ◽  
Compound C

The title compound, C30H30O2Si, was synthesized and structurally characterized in order to determine the influence of the bulky silyl protecting group on the conformation of the benzoin moiety, with a view to directing the stereochemistry of the borohydride reduction of the benzoin. The crystal structure shows a benzoin O—C—C—O torsion angle of 38.34 (1)°, not greatly different from that found in benzoin itself. In the crystal, a weak C—H...O hydrogen bond between the carbonyl group and a phenyl H atom of a symmetry-related molecule forms chains along [100].

scholarly journals Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone

2014 ◽  
Vol 70 (9) ◽  
pp. o974-o975 ◽  
Author(s):  
V. Rajni Swamy ◽  
P. Gunasekaran ◽  
R. V. Krishnakumar ◽  
N. Srinivasan ◽  
P. Müller
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Torsion Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chain Graph ◽  
Compound C ◽  
Structural Relationships ◽  
Graph Set

The title compound, C26H18F3N3O2S, a 2-methoxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays no structural relationships with them. The thiophene ring is disorder free and the –CF3group exhibits disorder, respectively, in contrast and similar to that observed in the 4-methyl- and 4-chloro-substituted derivatives. The torsion angle which defines the twist of the thiophene ring is −69.6 (2)° (gauche) in the title compound, whereas it is anticlinal in the 4-methyl- and 4-chloro-substituted derivatives, with respective values of 99.9 (2) and 99.3 (2)°. The absence of disorder in the thiophene ring facilitates one of its ring C atoms to participate in the lone intermolecular C—H...O hydrogen bond present in the crystal, leading to a characteristicC(5) chain graph-set motif linking molecules related through glides along [010]. An intramoleculr C—H...N hydrogen bond also occurs.

scholarly journals Crystal structure of 1-[(Z)-2-phenylhydrazin-1-ylidene]naphthalen-2(1H)-one

2015 ◽  
Vol 71 (5) ◽  
pp. o303-o303
Author(s):  
Ali Benosmane ◽  
Mohamed Amine Benaouida ◽  
Assia Mili ◽  
Abdelkader Bouchoul ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carbonyl Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Imino Group ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C16H12N2O, the dihedral angle between the planes of the benzene ring and naphthalenone ring system is 1.89 (8)°; an intramolecular N—H...O hydrogen bond occurs between the imino group and the carbonyl group. In the crystal, molecules are linked by weak C—H...π interactions into supramolecular chains propagating along the [01-1] direction.

scholarly journals 2-(Trimethylazaniumyl)ethyl hydrogen phosphate (phosphocholine) monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. o549-o549
Author(s):  
Yohsuke Nikawa ◽  
Kyoko Fujita ◽  
Keiichi Noguchi ◽  
Hiroyuki Ohno
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Water Molecules ◽  
Zigzag Chain ◽  
Hydrogen Phosphate ◽  
Compound C ◽  
Phosphate Groups

In the crystal structure of the title compound, C5H14NO4P·H2O, the zwitterionic phosphocholine molecules are connected by an O—H...O hydrogen bond between the phosphate groups, forming a zigzag chain along theb-axis direction. The chains are further connected through O—H...O hydrogen bonds involving water molecules, forming a layer parallel to (101). Three and one C—H...O interactions are also observed in the layer and between the layers, respectively. The conformation of the N—C—C—O backbone isgauchewith a torsion angle of −75.8 (2)°

scholarly journals Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. o24-o25
Author(s):  
F. M. Mashood Ahamed ◽  
M. Syed Ali Padusha ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Carbonyl Group ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Equatorial Orientation ◽  
Compound C ◽  
Morpholine Ring

In the title compound C18H20N2O2, the morpholine ring adopts a chair conformation with the exocyclic N—C bond in an equatorial orientation. The N atom of the morpholine ring and the C atom of the carbonyl group are in ananticonformation about the central C—C bond [torsion angle = −162.92 (11)°] and the dihedral angle between the planes of the benzene ring and the pyridine ring is 83.30 (5)°. In the crystal, pairs of very weak C—H...π interactions link the molecules into inversion dimers.

scholarly journals Crystal structure of (E)-2-(tert-butylamino)-4-(tert-butylimino)naphthalen-1(4H)-one

2018 ◽  
Vol 74 (7) ◽  
pp. 973-976 ◽  
Author(s):  
Guy Lamoureux ◽  
Mónica Alvarado-Rojas ◽  
Leslie W. Pineda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carbonyl Group ◽  
Title Compound ◽  
Tautomeric Form ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C18H24N2O, is the first example of a naphthoquinone imine derivative isolated in the 4-imine/2-amine tautomeric form having bulky alkyl substituents at the N atoms. The molecular conformation is stabilized by an intramolecular hydrogen bond between the amine and a carbonyl group and by London attraction between the two tert-butyl groups. Only van der Waals interactions were identified in the crystal packing.

scholarly journals Crystal structure ofN′-[bis(ethylsulfanyl)methylidene]-2-hydroxy-4-methoxybenzohydrazide

2015 ◽  
Vol 71 (12) ◽  
pp. o967-o968 ◽  
Author(s):  
Paras Nath ◽  
Manoj K. Bharty ◽  
Rahul Chaurasia ◽  
Sanyucta Kumari ◽  
Sushil K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Torsion Angle ◽  
Title Compound ◽  
Amide Group ◽  
Torsion Angles ◽  
Compound C ◽  
Acceptor Atom ◽  
Ring Motif

In the title compound, C13H18N2O3S2, the amide group is in the plane of the benzoyl ring with a C—N—N—C torsion angle of 177.63 (12)°. The two dithioate groups are in ananticonformation [torsion angles = 173.68 (8) and −9.98 (10)°]. An intramolecular N—H...O hydrogen bond is observed. In the crystal, an O—H...O hydrogen bond and a weak C—H...O contact involving the same acceptor atom generate anS(6) ring motif and give rise to chains along [010].

scholarly journals Crystal structure ofrac-3-[2,3-bis(phenylsulfanyl)-3H-indol-3-yl]propanoic acid

2015 ◽  
Vol 71 (11) ◽  
pp. 1414-1417
Author(s):  
Wayland E. Noland ◽  
Christopher D. Brown ◽  
Amanda M. Bisel ◽  
Andrew K. Schneerer ◽  
Kenneth J. Tritch
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Substituent Effect ◽  
Ergot Alkaloids ◽  
Effect Study ◽  
Propanoic Acid ◽  
Related Molecule ◽  
First Report ◽  
Compound C

The title compound, C23H19NO2S2, was obtained as an unexpected regioisomer from an attempted synthesis of an intermediate for a substituent-effect study on ergot alkaloids. This is the first report of a 1H-indole monothioating at the 2- and 3-positions to give a 3H-indole. In the crystal, the acid H atom is twisted roughly 180° from the typical carboxy conformation and forms centrosymmetric O—H...N hydrogen-bonded dimers with the indole N atom of an inversion-related molecule. Together with a weak C—H...O hydrogen bond involving the carbonyl O atom, chains are formed along [100].

scholarly journals Crystal structure of 1-{(E)-[(3,4-dichlorophenyl)imino]methyl}naphthalen-2-ol

2015 ◽  
Vol 71 (9) ◽  
pp. o696-o696
Author(s):  
Muhammad Nawaz Tahir ◽  
Muhammad Anwar-ul-Haq ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Compound C

In the title compound, C17H11Cl2NO, the dihedral angle between the planes of the naphthalene ring system and the benzene ring is 28.88 (11)°. The main twist in the molecule occurs about the N—Cb(b = benzene ring) bond, as indicated by the C=N—Cb—Cbtorsion angle of 31.0 (4)°. An intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, inversion dimers linked by pairs of very weak C—H...O interactions generateR22(16) loops.

scholarly journals (E)-3-Chloro-N-[(2-ethoxynaphthalen-1-yl)methylidene]aniline

2012 ◽  
Vol 68 (8) ◽  
pp. o2518-o2518 ◽  
Author(s):  
Hilal Vesek ◽  
Canan Kazak ◽  
Ayşen Alaman Ağar ◽  
Mustafa Macit ◽  
Mustafa Serkan Soylu
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Naphthalene Ring ◽  
Compound C

In the title compound, C19H16ClNO, the dihedral angle between the naphthalene ring system and the chlorobenzene ring is 61.90 (10)° and the C—N—C—C torsion angle is 174.6 (2)°. The molecular structure is stabilized by an intramolecular C—H...N hydrogen bond. The crystal structure features π–π stacking interactions [centroid–centroid distances = 3.7325 (17) and 3.8150 (17) Å].

scholarly journals Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide

2014 ◽  
Vol 70 (9) ◽  
pp. o915-o916 ◽  
Author(s):  
Syadza Firdausiah ◽  
Ameera Aqeela Salleh Huddin ◽  
Siti Aishah Hasbullah ◽  
Bohari M. Yamin ◽  
Siti Fairus M. Yusoff
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Amide Group ◽  
Compound C

In the title compound, C15H11F2N3O2S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C—N—N—C bonds [torsion angle = −138.7 (2)°] and the Car—Car—C—N (ar = aromatic) bonds [−132.0 (2)°]. An intramolecular N—H...O hydrogen bond occurs, which generates anS(6) ring. In the crystal, the molecules are linked by N—H...O and N—H...S hydrogen bonds, generating (001) sheets. Weak C—H...O and C—H...F interactions are also observed.

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