scholarly journals 4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone

2012 ◽  
Vol 68 (8) ◽  
pp. o2402-o2403 ◽  
Author(s):  
Rafael Mendoza-Meroño ◽  
Laura Menéndez-Taboada ◽  
Santiago García-Granda
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Phenyl Rings ◽  
Π Stacking Interaction ◽  
Title Molecule ◽  
Ring Motif

The title molecule, C26H22N4S, is composed of three main parts,viz.a triphenylamine group is connected to a phenyl ring by a thiosemicarbazone moiety. The C= N double bond has anEconformation. The crystal packing is dominated by strong hydrogen bonds through the thiosemicarbazone moiety, with pairs of N—H...S hydrogen bonds linking the molecules to form inversion dimers with anR22(8) ring motif. An intramolecular N—H...N hydrogen bond is also present, generating anS(5) ring motif. Although the structure contains four phenyl rings, π–π stacking interactions are not formed between them, probably due to the conformation adopted by the triphenylamine group. However, a weak π–π stacking interaction is observed between the phenyl ring and the delocalized thiosemicarbazone moiety.

scholarly journals 2-(1H-Benzimidazol-2-yl)phenol

2014 ◽  
Vol 70 (2) ◽  
pp. o184-o184 ◽  
Author(s):  
S. M. Prakash ◽  
A. Thiruvalluvar ◽  
S. Rosepriya ◽  
N. Srinivasan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Crystal Packing ◽  
Imidazole Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Title Molecule ◽  
Ring Motif

The title molecule, C13H10N2O, is essentially planar, the maximum deviation from the plane of the non-H atoms being 0.016 (2) Å. The imidazole ring makes a dihedral angle of 0.37 (13)° with the attached benzene ring. An intramolecular O—H...N hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linked through N—H...O hydrogen bonds, forming chains propagating in [001]. The crystal packing also features four π–π stacking interactions involving the imidazole ring, fused benzene ring and attached benzene ring system [centroid–centroid distances = 3.6106 (17), 3.6108 (17), 3.6666 (17) and 3.6668 (17) Å].

scholarly journals Isomers and polymorphs of (E,E)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes

2006 ◽  
Vol 62 (4) ◽  
pp. 666-675 ◽  
Author(s):  
Christopher Glidewell ◽  
John N. Low ◽  
Janet M. S. Skakle ◽  
James L. Wardell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Space Group ◽  
Stacking Interaction ◽  
Space Groups ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Polymorphic Forms

The structures of five of the possible six isomers of (E,E)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadiene are reported, including two polymorphs of one of the isomers. (E,E)-1,4-Bis(2-nitrophenyl)-2,3-diaza-1,3-butadiene, C14H10N4O4 (I), crystallizes in two polymorphic forms (Ia) and (Ib) in which the molecules lie across centres of inversion in space groups P21/n and P21/c, respectively: the molecules in (Ia) and (Ib) are linked into chains by aromatic π...π stacking interactions and C—H...π(arene) hydrogen bonds, respectively. Molecules of (E,E)-1-(2-nitrophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene (II) are linked into sheets by two independent C—H...O hydrogen bonds. The molecules of (E,E)-1,4-bis(3-nitrophenyl)-2,3-diaza-1,3-butadiene (III) lie across inversion centres in the space group P21/n, and a combination of a C—H...O hydrogen bond and a π...π stacking interaction links the molecules into sheets. A total of four independent C—H...O hydrogen bonds link the molecules of (E,E)-1-(3-nitrophenyl)-4-(4-nitrophenyl)-2,3-diaza-1,3-butadiene (IV) into sheets. In (E,E)-1,4-bis(4-nitrophenyl)-2,3-diaza-1,3-butadiene (V) the molecules, which lie across centres of inversion in the space group P21/n, are linked by just two independent C—H...O hydrogen bonds into a three-dimensional framework.

scholarly journals 3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile

2014 ◽  
Vol 70 (6) ◽  
pp. o736-o737
Author(s):  
B. Narayana ◽  
M Sapnakumari ◽  
Balladka K. Sarojini ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intramolecular O—H...O hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linkedviaC—H...N and C—H...O hydrogen bonds, forming chains along thec-axis direction. C—H...F hydrogen bonds link the chains into sheets lying parallel to thebcplane.

scholarly journals Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis(4-toluenesulfonate) dihydrate

2014 ◽  
Vol 70 (8) ◽  
pp. 805-811 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Hemmige S. Yathirajan ◽  
Manpreet Kaur ◽  
Eric C. Hosten ◽  
Richard Betz ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Framework Structure ◽  
Independent Components ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Ionic Components

The structures of two salts of flunarizine, namely 1-bis[(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine, C26H26F2N2, are reported. In flunarizinium nicotinate {systematic name: 4-bis[(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-3-carboxylate}, C26H27F2N2+·C6H4NO2−, (I), the two ionic components are linked by a short charge-assisted N—H...O hydrogen bond. The ion pairs are linked into a three-dimensional framework structure by three independent C—H...O hydrogen bonds, augmented by C—H...π(arene) hydrogen bonds and an aromatic π–π stacking interaction. In flunarizinediium bis(4-toluenesulfonate) dihydrate {systematic name: 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium bis(4-methylbenzenesulfonate) dihydrate}, C26H28F2N22+·2C7H7O3S−·2H2O, (II), one of the anions is disordered over two sites with occupancies of 0.832 (6) and 0.168 (6). The five independent components are linked into ribbons by two independent N—H...O hydrogen bonds and four independent O—H...O hydrogen bonds, and these ribbons are linked to form a three-dimensional framework by two independent C—H...O hydrogen bonds, but C—H...π(arene) hydrogen bonds and aromatic π–π stacking interactions are absent from the structure of (II). Comparisons are made with some related structures.

scholarly journals (4Z)-2-Phenyl-1-{(E)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1H-imidazol-5(4H)-one

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Kamni ◽  
Vikram D. Singh ◽  
K. N. Subbulakshmi ◽  
B. Narayana ◽  
B. K. Sarojini ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Graph Set ◽  
Title Molecule

In the title molecule, C24H21N3OS, the imidazole ring subtends dihedral angles of 4.6 (1) and 20.2 (1)° with the thiophene and iso-propylbenzene rings, respectively. The plane of the imidazole ring forms a dihedral angle of 39.9 (1)° with the phenyl ring. An intramolecular C—H...N hydrogen bond closes anS(6) ring. In the crystal, pairs of C—H...O hydrogen bonds link molecules into inversion dimers featuringR22(10) graph-set motifs. Aromatic π–π stacking interactions are observed between the thiophene and imidazole rings [centroid–centroid distance = 3.570 (2) Å] and thiophene and benzene rings [centroid–centroid distance = 3.889 (2) Å]. Weak C—H...π interactions are also observed.

Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate

2012 ◽  
Vol 69 (1) ◽  
pp. 77-81
Author(s):  
Edwar Cortés ◽  
Rodrigo Abonía ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Stacking Interactions ◽  
Electronic Polarization ◽  
Stacking Interaction ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Hydrogen Bonded

In methyl 4-(4-chloroanilino)-3-nitrobenzoate, C14H11ClN2O4, (I), there is an intramolecular N—H...O hydrogen bond and the intramolecular distances provide evidence for electronic polarization of theo-quinonoid type. The molecules are linked into sheets built from N—H...O, C—H...O and C—H...π(arene) hydrogen bonds, together with an aromatic π–π stacking interaction. The molecules of methyl 1-benzyl-2-(4-chlorophenyl)-1H-benzimidazole-5-carboxylate, C22H17ClN2O2, (II), are also linked into sheets, this time by a combination of C—H...π(arene) hydrogen bonds and aromatic π–π stacking interactions.

2-(4-Methylbenzoyloxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)tetrahydrofuran-3-yl 4-methylbenzoate

2007 ◽  
Vol 63 (3) ◽  
pp. o1395-o1397 ◽  
Author(s):  
H. S. Yathirajan ◽  
Anil N. Mayekar ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Geometric Parameters ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

The title compound, C26H26N2O7, is a thiamidine derivative. Geometric parameters are in the usual ranges. The crystal packing is stabilized by a classical N—H...O hydrogen bond, several weak C—H...O hydrogen bonds and a π–π stacking interaction.

scholarly journals Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Etify A. Bakhite ◽  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Elham A. Al-Taifi
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Axis Direction ◽  
Bond Forming ◽  
Bicyclic System ◽  
Centroid Distance ◽  
Title Molecule ◽  
Ring Motif

The conformation of the title molecule, C30H24ClN3O4S, is partially determined by an intramolecular N—H...O hydrogen bond, forming anS(6) loop, and an N—H...π interaction involving the centroid of the 4-chlorophenyl ring. The thienopyridine bicyclic system is almost planar with an r.m.s. deviation of 0.019 Å. Its mean plane is inclined to the phenyl ring, the 4-chlorophenyl ring and the 4-methoxyphenyl ring by 36.19 (7), 81.67 (7) and 12.75 (7)°, respectively. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(20) ring motif. Within the dimers, which stack along theb-axis direction, there is a weak π–π interaction [centroid-to-centroid distance = 3.7936 (9) Å] involving inversion-related thiophene and pyridine rings.

scholarly journals Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π–π stacking

2015 ◽  
Vol 71 (6) ◽  
pp. 609-617 ◽  
Author(s):  
Haliwana B. V. Sowmya ◽  
Tholappanavara H. Suresha Kumara ◽  
Nagendrappa Gopalpur ◽  
Jerry P. Jasinski ◽  
Sean P. Millikan ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Supramolecular Assembly ◽  
Two Dimensions ◽  
Single Type ◽  
Stacking Interactions ◽  
The Third ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Independent Molecules

In the molecules of the title compounds, methyl 5-bromo-2-[(2-chloroquinolin-3-yl)methoxy]benzoate, C18H13BrClNO3, (I), methyl 5-bromo-2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate, C19H15BrClNO3, (II), methyl 2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate, C19H16ClNO3, (III), which crystallizes withZ′ = 4 in space groupP212121, and 2-chloro-3-[(naphthalen-1-yloxy)methyl]quinoline, C20H14ClNO, (IV), the non-H atoms are nearly coplanar, but in {5-[(2-chloroquinolin-3-yl)methoxy]-4-(hydroxymethyl)-6-methylpyridin-3-yl}methanol, C18H17ClN2O3, (V), the planes of the quinoline unit and of the unfused pyridine ring are almost parallel, although not coplanar. The molecules of (I) are linked by two independent π–π stacking interactions to form chains, but there are no hydrogen bonds present in the structure. In (II), the molecules are weakly linked into chains by a single type of π–π stacking interaction. In (III), three of the four independent molecules are linked by π–π stacking interactions but the other molecule does not participate in such interactions. Weak C—H...O hydrogen bonds link the molecules into three types of chains, two of which contain just one type of independent molecule while the third type of chain contains two types of molecule. The molecules of (IV) are linked into chains by a C—H...π(arene) hydrogen bond, but π–π stacking interactions are absent. In (V), there is an intramolecular O—H...O hydrogen bond, and molecules are linked into sheets by a combination of O—H...N hydrogen bonds and π–π stacking interactions.

scholarly journals 4-Benzyl-6-bromo-2-(4-chlorophenyl)-4H-imidazo[4,5-b]pyridine

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Selma Bourichi ◽  
Youssef Kandri Rodi ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
Younes Ouzidan ◽  
...  
Keyword(s):  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
The Other ◽  
Equatorial Position ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
The Mean ◽  
Ring Motif

In the title compound, C19H13BrClN3, the chlorophenyl ring occupies an equatorial position with respect to the mean plane of the imidazopyridine unit, while the other phenyl ring is twisted by 4.1 (2)° with respect to the mean plane of the imidazopyridine unit. In the crystal, pairwise C—H...Br interactions link the molecules into dimers, forming anR22(16) ring motif. In addition, weak π–π stacking interactions stabilize the crystal packing.

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