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.

2-Benzylidene-2,3-dihydro-1H-benzo[f]chromen-1-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4383-o4383 ◽  
Author(s):  
A. Marx ◽  
V. Manivannan ◽  
R. Suresh ◽  
Charles Christopher Kanagam ◽  
Orhan Büyükgüngör
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The dihedral angles between the phenyl ring and the naphthalene part of the chromanone unit in the two independent molecules of the title compound, C20H14O2, are 56.17 (4) and 55.62 (7)°. The molecular structure is stabilized by weak intramolecular C—H...O interactions and the crystal packing is stabilized by weak C—H...π interactions.

scholarly journals (E)-1-[2-(2-Nitrostyryl)-1-phenylsulfonyl-1H-indol-3-yl]propan-1-one

2014 ◽  
Vol 70 (2) ◽  
pp. o148-o148 ◽  
Author(s):  
J. Kanchanadevi ◽  
G. Anbalagan ◽  
V. Saravanan ◽  
A. K. Mohanakrishnan ◽  
B. Gunasekaran ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C25H20N2O5S, the phenyl ring makes dihedral angles of 89.88 (8) and 13.98 (8)°, respectively, with the indole ring system and the nitrobenzene ring. The dihedral angle between the indole ring system and the nitrobenzene ring is 88.48 (11)°. The molecular structure is stabilized by a weak intramolecular C—H...O interaction. In the crystal, π–π interactions, with centroid–centroid distances of 3.6741 (18) and 3.8873 (17) Å, link the molecules into layers parallel to theabplane.

scholarly journals N-[(3-Bromo-1-phenylsulfonyl-1H-indol-2-yl)methyl]-4-fluoroaniline

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
C. Suresh Yadav ◽  
Vijayan Viswanathan ◽  
Sathananthan Kannadasan ◽  
Devadasan Velmurugan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings ◽  
Intramolecular Hydrogen

In the title compound, C21H16BrFN2O2S, the indole ring system makes dihedral angles of 87.23 (10) and 77.58 (9)° with the fluorobenzene and phenyl rings, respectively. The molecular structure is stabilized by a C—H...O and a C—H...Br intramolecular hydrogen bond, which generateS(6) andS(8) ring motifs, respectively. In the crystal, molecules are linked by C—H...π interactions, forming ribbons propagating along thea-axis direction. Within the ribbons, there are offset π–π interactions present involving inversion-related molecules [intercentroid distance = 3.650 (1) Å].

scholarly journals Crystal structure of 1,3-bis(1H-benzotriazol-1-ylmethyl)benzene

2016 ◽  
Vol 72 (6) ◽  
pp. 815-818 ◽  
Author(s):  
Mario A. Macías ◽  
Nelson Nuñez-Dallos ◽  
John Hurtado ◽  
Leopoldo Suescun
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Aromatic Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Benzene Nucleus ◽  
Π Interactions ◽  
Compound C

The molecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in ametaconfiguration, forming dihedral angles of 88.74 (11) and 85.83 (10)° with the central aromatic ring and 57.08 (9)° with each other. The three-dimensional structure is controlled mainly by weak C—H...N and C—H...π interactions. The molecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

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 N-(3-Chloro-4-ethoxy-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (6) ◽  
pp. o679-o679 ◽  
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Abdellah Hannioui ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Ethoxy Group ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

The indazole ring system of the title compound, C17H18ClN3O4S, is almost planar (r.m.s. deviation = 0.0113 Å) and forms dihedral angles of 32.22 (8) and 57.5 (3)° with the benzene ring and the mean plane through the 4-ethoxy group, respectively. In the crystal, molecules are connected by pairs of N—H...O hydrogen bonds into inversion dimers, which are further linked by π–π interactions between the diazole rings [intercentroid distance = 3.4946 (11) Å], forming chains parallel to [101].

scholarly journals 2-[2-(2-Nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]-3-phenylpropan-1-ol

2014 ◽  
Vol 70 (5) ◽  
pp. o621-o621
Author(s):  
Yizhen Li ◽  
Pu Mao ◽  
Yongmei Xiao ◽  
Liangru Yang ◽  
Lingbo Qu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C30H25N3O3, the central imidazole ring forms dihedral angles of 77.34 (6), 12.56 (6) and 87.04 (6)°, respectively, with theo-nitrobenzene ring and the phenyl substituents in the 5- and 4-positions. The molecular conformation is stabilized by weak intramolecular C—H...π interactions. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming chains running parallel to theb-axis direction.

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 1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Rizk E. Khidre ◽  
Mohamed S. Mostafa ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H22N4O2S, the dihedral angle between the triazole and thiophene rings is 4.83 (14)°. The dihedral angles between the triazole and tolyl rings and between the thiophene and phenyl rings are 48.42 (16) and 9.23 (13)°, respectively. An intramolecular N—H...O hydrogen bond closes anS(6) loop. In the crystal, molecules are stacked parallel to thea-axis direction with weak π–π interactions between adjacent thiophenyl and triazolyl groups within the stack [centroid–centroid separation = 3.9811 (16) Å].

scholarly journals Crystal structure ofN-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide

2016 ◽  
Vol 72 (1) ◽  
pp. 60-62 ◽  
Author(s):  
Ying Liang ◽  
Li-Qiao Shi ◽  
Zi-Wen Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C19H13ClF2N2O2, the conformation of the N—H bond in the amide segment isantito the C=O bond. The molecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35 (7) and 81.26 (6)°, respectively. A weak intramolecular C—H...O hydrogen bond occurs. In the crystal, N—H...N, C—H...O and C—H...F hydrogen bonds lead to the formation of dimers. The N—H...N inversion dimers are linked by π–π contacts between adjacent pyridine rings [centroid–centroid = 3.8541 (12) Å] and C—H...π interactions. These contacts combine to stack the molecules along theaaxis.

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