scholarly journals Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. o3-o4 ◽  
Author(s):  
Julio Zukerman-Schpector ◽  
Paulo R. Olivato ◽  
Henrique J. Traesel ◽  
Jéssica Valença ◽  
Daniel N. S. Rodrigues ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Torsion Angle ◽  
Compound C ◽  
Supramolecular Chains

In the title β-thiocarbonyl compound, C16H16O2S, the carbonyl and methoxy O atoms are approximately coplanar [O—C—C—O torsion angle = −18.2 (5)°] andsynto each other, and the tolyl ring is orientated to lie over them. The dihedral angle between the planes of the two rings is 44.03 (16)°. In the crystal, supramolecular chains are formed along thecaxis mediated by C—H...O interactions involving methine and methyl H atoms as donors, with the carbonyl O atom accepting both bonds; these pack with no specific intermolecular interactions between them.

scholarly journals Crystal structure of 1,1,2,2-tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane

2015 ◽  
Vol 71 (11) ◽  
pp. o888-o888 ◽  
Author(s):  
Christian Godemann ◽  
Anke Spannenberg ◽  
Torsten Beweries
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Bond Length ◽  
Intermolecular Interactions ◽  
Torsion Angle ◽  
Title Compound ◽  
Molecular Packing ◽  
Steric Strain ◽  
Compound C ◽  
Supramolecular Chains

The molecular structure of the title compound, C22H38Si2, features atransarrangement of the cyclopentadienyl rings to avoid steric strain [C—Si—Si—C torsion angle = −179.0 (5)°]. The Si—Si bond length is 2.3444 (4) Å. The most notable intermolecular interactions in the molecular packing are C—H...π contacts that lead to the formation of wave-like supramolecular chains along thebaxis.

scholarly journals N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis

2018 ◽  
Vol 74 (9) ◽  
pp. 1254-1258
Author(s):  
Vivek C. Ramani ◽  
Rina D. Shah ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Compound C ◽  
Hirshfeld Surfaces ◽  
Supramolecular Chains

The title compound, C16H15N5O2, adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5)°; the dihedral angles between the central pyrazolyl ring (r.m.s. deviation = 0.0023 Å) and the methylene-bound pyridyl and methyoxypyridyl rings are 77.68 (5) and 7.84 (10)°, respectively. Intramolecular amide-N—H...N(pyrazolyl) and pyridyl-C—H...O(amide) interactions are evident and these preclude the participation of the amide-N—H and O atoms in intermolecular interactions. The most notable feature of the molecular packing is the formation of linear supramolecular chains aligned along the b-axis direction mediated by weak carbonyl-C=O...π(triazolyl) interactions. An analysis of the calculated Hirshfeld surfaces point to the importance of H...H (46.4%), C...H (22.4%), O...H (11.9%) and N...H (11.1%) contacts in the crystal.

scholarly journals Crystal structure of 2-methoxy-2-[(4-methoxyphenyl)sulfanyl]-1-phenylethanone

2015 ◽  
Vol 71 (9) ◽  
pp. o657-o658 ◽  
Author(s):  
Ignez Caracelli ◽  
Paulo R. Olivato ◽  
Henrique J. Traesel ◽  
Jéssica Valença ◽  
Daniel N. S. Rodrigues ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Torsion Angle ◽  
Methoxy Group ◽  
Crystal Packing ◽  
Notable Feature ◽  
Compound C ◽  
Supramolecular Chain

In the title β-thiocarbonyl compound, C16H16O3S, the adjacent methoxy and carbonyl O atoms are synperiplanar [the O—C—C—O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the methoxy group is coplanar with the benzene ring to which it is connected [the C—C—O—C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C—H...O(carbonyl) interactions that lead to a supramolecular chain with a zigzag topology along thecaxis. Chains pack with no specific intermolecular interactions between them.

scholarly journals Crystal structure of mandipropamid

2015 ◽  
Vol 71 (10) ◽  
pp. o727-o728
Author(s):  
Hyunjin Park ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound, C23H22ClNO4(systematic name: (RS)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide), an amide fungicide, the dihedral angle between the chlorobenzene and benzene rings is 65.36 (6)°. In the crystal, N—H...O hydrogen bonds lead to zigzag supramolecular chains along thecaxis (glide symmetry). These are connected into layers by C—H...O and C—H...π interactions; the layers stack along theaaxis with no specific intermolecular interactions between them.

scholarly journals (1R,2S,5R)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis

2018 ◽  
Vol 74 (3) ◽  
pp. 414-418
Author(s):  
Julio Zukerman-Schpector ◽  
Monica Soto-Monsalve ◽  
Regina H. De Almeida Santos ◽  
Angelo H. L. Machado ◽  
Carlos Roque D. Correia ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Axis Direction ◽  
Compound C ◽  
Hirshfeld Analysis ◽  
Supramolecular Chains

In the title compound, C28H34N2O5, the adjacent ester and nitrobenzene substituents are connectedviaan intramolecular methylene-C—H...π(nitrobenzene) interaction and the molecule approximates to a U-shape. The dihydropyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with the carboxylate residue [Cm—N—C1—Oc(m = methine, c = carboxyl) torsion angle = 1.8 (4)°] but is orthogonal to the 4-methoxybenzene ring [dihedral angle = 84.34 (17)°]. In the crystal, methylene-C—H...O(carbonyl) interactions lead to linear supramolecular chains along theb-axis direction, which pack without directional interactions between them. The analysis of the calculated Hirshfeld surface points to the importance of weak interatomic H...H, O...H/H...O and C...H/H...C contacts in the crystal.

scholarly journals Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

scholarly journals Crystal structure of dimethyl 3,3′-[(4-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)

2015 ◽  
Vol 71 (10) ◽  
pp. 1140-1142 ◽  
Author(s):  
Hong-Shun Sun ◽  
Yu-long Li ◽  
Hong Jiang ◽  
Ning Xu ◽  
Hong Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C27H21FN2O4, the mean planes of the indole ring systems (r.m.s. deviations = 0.0263 and 0.0160 Å) are approximately perpendicular to one another, making a dihedral angle of 84.0 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 89.5 (5) and 84.6 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers, which are further linked by N—H...O hydrogen bonds into supramolecular chains propagated along theb-axis direction. Weak C—H...π interactions are observed between neighbouring chains.

scholarly journals Diphenyl[(phenylsulfanyl)methyl]-λ5-phosphanethione

2014 ◽  
Vol 70 (3) ◽  
pp. o374-o374
Author(s):  
Viktoria H. Gessner
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Subsequent Reaction ◽  
Bond Lengths ◽  
Compound C ◽  
Benzene Rings ◽  
Diphenyl Disulfide

The title compound, C19H17PS2, results from the direct deprotonation of diphenylmethylphosphine sulfide and subsequent reaction with diphenyl disulfide. The C—P and C—S bond lengths of 1.8242 (18) and 1.8009 (18) Å, respectively, of the central P—C—S linkage are comparable to those found in the sulfonyl analogue, but are considerably longer than those reported for the dimetallated sulfonyl compound. The dihedral angle between the benzene rings of the diphenylmethyl moiety is 69.46 (7)°. No distinct intermolecular interactions are present in the crystal structure.

scholarly journals Crystal structure of (E)-1-(2-nitrobenzylidene)-2,2-diphenylhydrazine

2014 ◽  
Vol 70 (9) ◽  
pp. o909-o910 ◽  
Author(s):  
Marcos Flores-Alamo ◽  
Ruth Meléndrez-Luévano ◽  
José A. Ortiz Márquez ◽  
Estibaliz Sansinenea Royano ◽  
Blanca M. Cabrera-Vivas
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Compound C ◽  
Phenyl Rings ◽  
Imine Bond ◽  
Van Der Waals Contacts

The title compound, C19H15N3O2, shows anEconformation of the imine bond. The dihedral angle between the planes of the phenyl rings in the diphenylhydrazine groups is 88.52 (4)°. The 2-nitrobenzene ring shows a torsion angle of 10.17 (8)° with the C=N—N plane. A short intramolecular C—H...O contact occurs. In the crystal, only van der Waals contacts occur between the molecules.

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.

Sign in / Sign up

Export Citation Format

Share Document