scholarly journals Benzyl 2-(benzylsulfanyl)benzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o285-o286
Author(s):  
Zorica Leka ◽  
Sladjana B. Novaković ◽  
Goran A. Bogdanović ◽  
Gordana P. Radić ◽  
Zoran R. Ratković
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C21H18O2S, the central aromatic ring makes dihedral angles of 5.86 (12) and 72.02 (6)° with the rings of the terminalO-benzyl andS-benzyl groups, respectively. The dihedral angle between the peripheral phenyl rings is 66.16 (6)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers. These dimers are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2014 ◽  
Vol 70 (5) ◽  
pp. o587-o587 ◽  
Author(s):  
Mohamed Bakhouch ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C20H16N2O5S, is built up by one fused five-membered and two fused six-membered rings linked to ethoxycarbonyl and 3-nitrophenyl groups. The benzothienopyran ring system is nearly planar (r.m.s deviation = 0.0392 Å) and forms a dihedral angle of 86.90 (6)° with the aromatic ring of the nitrobenzene group. In the crystal, molecules are linked by N—H...O hydrogen bonds and by π–π interactions between the phenyl ring and the six-membered heterocyle [intercentroid distance = 3.5819 (8) Å], forming a three-dimensional network.

scholarly journals 3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Jianchao Xu ◽  
Hewen Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C19H20N4OS, the 1,2,4-triazole ring forms dihedral angles of 58.64 (9) and 87.68 (9)° with the phenyl rings, which are inclined to one another by 43.30 (6)°. In the crystal, molecules are linked by N—H...O, N—H...S and C—H...S hydrogen bonds, forming chains propagating along thec-axis direction. Neighbouring chains are linked by three C—H...π interactions, forming layers parallel to thebcplane. Finally, the layers are linked by a fourth C—H...π interaction, forming a three-dimensional network.

scholarly journals 5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
S. Madan Kumar ◽  
N. Manju ◽  
Asma ◽  
Balakrishna Kalluraya ◽  
K. Byrappa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the crystal structure of the title compound, C17H12Cl2N2O2, the pyrazole ring makes dihedral angles of 65.0 (2) and 43.9 (2)° with the dichlorophenyl and phenyl rings, respectively. The dihedral angle between the chlorophenyl and phenyl rings is 59.1 (2)°. In the crystal, the molecules are linked by C—H...O hydrogen bonds and weak C—Cl...π and C—H...π interactions, generating a three-dimensional network.

scholarly journals 4-Fluoro-N-(4-hydroxybenzylidene)aniline

2014 ◽  
Vol 70 (8) ◽  
pp. o860-o860
Author(s):  
L. Jothi ◽  
G. Anuradha ◽  
G. Vasuki ◽  
R. Ramesh Babu ◽  
K. Ramamurthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases withN-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H...N and C—H...F hydrogen bonds lead to the formation of chains along thec-andb-axis directions, respectively. C—H...π contacts link molecules alongaand these contacts combine to generate a three-dimensional network with molecules stacked along theb-axis direction.

scholarly journals Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

2014 ◽  
Vol 70 (7) ◽  
pp. o791-o792 ◽  
Author(s):  
Scott A. Steiger ◽  
Anthony J. Monacelli ◽  
Chun Li ◽  
Janet L. Hunting ◽  
Nicholas R. Natale
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interaction ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Dihydropyridine Ring

The title compound, C25H27NO4, has a flattened dihydropyridine ring. The benzene and phenyl rings are synclinal to one another, forming a dihedral angle of 49.82 (8)°; the axis of the biphenyl rings makes an 81.05 (9)° angle to the plane of the dihydropyridine ring. In the crystal, N—H...O hydrogen bonds link the molecules into chain motifs running along thea-axis direction. The chains are cross-linked by C—H...O interactions, forming sheet motifs running slightly off the (110) plane, together with an intermolecular interaction between head-to tail biphenyl groups, thus making the whole crystal packing a three-dimensional network. Intramolecular C—H...O hydrogen bonds are also observed.

scholarly journals Crystal structure of 5-fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (11) ◽  
pp. o1168-o1168
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H10F2O2S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (1) Å] and the 3-fluorophenyl ring is 26.60 (5)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the benzofuran rings of inversion-related molecules [centroid(benzene)–centroid(furan) distance = 3.819 (2) Å], forming a three-dimensional network.

scholarly journals Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]-2-oxoacetate

2013 ◽  
Vol 69 (12) ◽  
pp. o1730-o1730
Author(s):  
Jia-liang Zhong ◽  
Wen-xia Sun ◽  
Fu-li Zhang ◽  
Li-hong Liu ◽  
He Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C25H23NO4, the pyrrolizine ring is approximately planar with an r.m.s deviation from planarity of 0.0053 Å, while the fused dihydropyrrolizine ring adopts an envelope conformation with the C atom connected to two CH2as the flap. The dihedral angles between the fused ring system and the phenyl and methylbenzoyl rings are 41.65 (11) and 66.30 (8)°, respectively. In the crystal, weak C—H...O hydrogen bonds and C—H...π interactions occur. One molecule is linked to five adjacent ones through eight hydrogen bonds, forming a three-dimensional network.

scholarly journals N′-[(E)-4-Chlorobenzylidene]-2-(2,3-dimethylanilino)benzohydrazide

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Evan M. Dunkley ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Π Interactions ◽  
Compound C

In the title compound, C22H20ClN3O, the dihedral angle between the planes of the chlorophenyl and dimethylphenyl rings is 66.50 (9)°. These rings make dihedral angles 47.79 (8) and 69.24 (9)°, respectively, with the central benzene ring. In the crystal, molecules are linked into a three-dimensional supramolecular network by N—H...O, C—H...O hydrogen bonds and weak C—H...π interactions.

scholarly journals 1-Benzoylnaphthalene-2,7-diyl dibenzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o210-o210 ◽  
Author(s):  
Rei Sakamoto ◽  
Kosuke Sasagawa ◽  
Daichi Hijikata ◽  
Akiko Okamoto ◽  
Noriyuki Yonezawa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C31H20O5, the phenyl rings of the benzoyloxy and benzoyl groups are twisted away from the naphthalene ring system by 64.27 (6), 73.62 (5) and 80.41 (6)°. In the crystal, C—H...O hydrogen bonds and C—H...π interactions link the molecules, forming tubular chains parallel to thebaxis. The chains are further connected into a three-dimensional network by C—H...π interactions and π–π stacking contacts [centroid–centroid distances = 3.622 (10)–3.866 (12) Å].

scholarly journals Crystal structures of (E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate and (E)-(3-isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate

2014 ◽  
Vol 70 (10) ◽  
pp. 199-202 ◽  
Author(s):  
B. Raghuvarman ◽  
R. Sivakumar ◽  
V. Thanikachalam ◽  
S. Aravindhan
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Three Dimensional ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compounds, C27H28N2O3, (I), and C28H30N2O3, (II), the conformation about the C=N bond isE. The piperidine rings adopt chair conformations with the attached phenyl rings almost normal to their mean planes, the dihedral angles being 85.82 (8) and 85.84 (7)° in (I), and 87.98 (12) and 86.42 (13)° in (II). The phenyl rings are inclined to one another by 52.87 (8)° in (I) and by 60.51 (14)° in (II). The main difference in the conformation of the two compounds is the angle of inclination of the phenoxycarbonyl ring to the piperidine ring mean plane. In (I), these two planes are almost coplanar, with a dihedral angle of 2.05 (8)°, while in (II), this angle is 45.24 (13)°. In the crystal of (I), molecules are linked by C—H...O hydrogen bonds, forming inversion dimers withR22(14) loops. The dimers are linkedviaC—H...π interactions forming a three-dimensional network. In the crystal of (II), there are no significant intermolecular interactions present.

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