Ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)nicotinate

2007 ◽  
Vol 63 (11) ◽  
pp. o4320-o4320
Author(s):  
Qing-Yun Ren ◽  
Hong-Wu He ◽  
Yong-Yan Yao ◽  
Yu-Cheng Gu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Framework Structure ◽  
Π Interactions ◽  
Compound C ◽  
The Stability

In the title compound, C16H14N4O5, the benzene ring of the nicotinate residue is inclined at an angle of 64.06 (10)° to the benzene ring of the nitrophenoxy group. The molecules are linked by two intermolecular C—H...O and N—H...N hydrogen bonds into a complex three-dimensional framework structure. C—H...π interactions also contribute to the stability of the crystal packing.

scholarly journals 2,6-Bis(1H-benzimidazol-2-yl)pyridine butyric acid monosolvate dihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1820-o1820 ◽  
Author(s):  
Songzhu Lin ◽  
Ruokun Jia ◽  
Aimin He
Keyword(s):  
Hydrogen Bonds ◽  
Butyric Acid ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Molecular Skeleton

In the title compound, C19H13N5·C4H8O2·2H2O, the molecular skeleton of the 2,6-bis(benzimidazol-2-yl)pyridine (bbip) molecule is essentially planar (r.m.s. deviation = 0.023 Å). An extensive three-dimensional network of intermolecular N—H...O, O—H...O and O—H...N hydrogen bonds consolidates the crystal packing, which also exhibits π–π interactions between the five- and six-membered rings from neighbouring bbip molecules.

scholarly journals Ethyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Yassine Hakmaoui ◽  
El Mostapha Rakib ◽  
Souad Mojahidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Packing Arrangement ◽  
The Stability

In the title compound, C8H11N3O4, the imidazole ring and the nitro group are nearly coplanar, with the largest deviation from the mean plane being 0.119 (2) Å. The mean plane through the acetate group is approximately perpendicular to the imidazole ring, subtending a dihedral angle of 75.71 (13)°. In the crystal, molecules are linked by weak C—H...O and very weak C—H...N hydrogen bonds, forming a three-dimensional network. There is also a weak C—H...π(imidazole) interaction, which contributes to the stability of the crystal packing arrangement.

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 4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2376-o2377
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C17H17BrN2O, the N-containing ring adopts an envelope conformation with the C atom carrying the phenyl ring displaced by −0.531 (9) Å from the plane defined by the remaining five atoms (r.m.s. deviation = 0.0099 Å). The benzene ring is almost orthogonal to the ring to which it is attached, the CCN—C—CPh—CPhtorsion angle being −101.3 (7)°. The cyclohexene ring is disordered over two conformations in a statistical ratio. The most prominent interactions in the crystal are pairs of N—H...O hydrogen bonds between inversion-related molecules. The resulting dimers are linked into a three-dimensional architecture by C—H...N, C—H...Br and C—H...π interactions.

scholarly journals 6-Cyanonaphthalen-2-yl 4-hexylbenzoate

2014 ◽  
Vol 70 (5) ◽  
pp. o620-o620 ◽  
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mohd. Yusoff Mashitah ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Minor Component ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H23NO2, a whole molecule is disordered over two sets of sites with occupancies in a ratio of 0.692 (6):0.308 (6). In the major disorder component, the naphthalene ring system forms a dihedral angle of 68.6 (5)° with the benzene ring. The corresponding angle in the minor component is 81.6 (10)°. In the crystal, molecules are linked into chains propagating along theb-axis directionviaweak C—H...O hydrogen bonds. The crystal packing is further consolidated by weak C—H...π interactions.

scholarly journals [4-(Allyloxy)phenyl](phenyl)methanone

2014 ◽  
Vol 70 (7) ◽  
pp. o814-o815
Author(s):  
Richard F. D'Vries ◽  
Carlos D. Grande ◽  
Manuel N. Chaur ◽  
Javier A. Ellena ◽  
Rigoberto C. Advincula
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The structure of the title compound, C16H14O2, features a dihedral angle of 54.4 (3)° between the aromatic rings. The allyl group is rotated by 37.4 (4)° relative to the adjacent benzene ring. The crystal packing is characterized by numerous C—H...O and C—H...π interactions. Most of these interactions occur in layers along (011). The layers are linked by C—H...π interactions along [100], forming a three-dimensional network.

scholarly journals (2E)-3-(4-Cyanophenyl)-1-(4,4′′-difluoro-5′-methoxy-1,1′:3′,1′′-terphenyl-4′-yl)prop-2-en-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1877-o1878 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Wan-Sin Loh ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C29H19F2NO2, the central benzene ring forms a dihedral angle of 56.92 (12)° with the cyanobenzene ring and dihedral angles of 40.91 (12) and 44.76 (12)° with the two fluorobenzene rings. In the crystal, C—H...O and C—H...F hydrogen bonds link the molecules into sheets lying parallel to the ab plane. The crystal packing also features C—H...π interactions involving the central benzene ring.

scholarly journals 2-(2-Nitrophenyl)-1,3-benzothiazole

2012 ◽  
Vol 68 (8) ◽  
pp. o2362-o2362
Author(s):  
S. Vijayakumar ◽  
S. Murugavel ◽  
R. Selvakumar ◽  
M. Bakthadoss
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C

In the title compound, C13H8N2O2S, the essentially planar benzothiazole system [maximum deviation = −0.012 (1) Å for the S atom] is oriented at a dihedral angle of 48.3 (1)° with respect to the benzene ring. The nitro group is substantially twisted from the plane of its attached benzene ring [dihedral angle = 52.0 (1)°]. The crystal packing features C—H...O hydrogen bonds, which generateC(6) helical chains propagating along [010]. Weak C—H...π interactions also occur in the crystal.

scholarly journals N′-[(1E)-1-(4-Chlorophenyl)ethylidene]-2-(2,3-dimethylanilino)benzohydrazide

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Elizabeth A. McGurk ◽  
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, C23H22ClN3O, the dihedral angle between the planes of the chlorophenyl and dimethylphenyl rings is 62.49 (10)°. These rings make dihedral angles of 21.11 (9) and 59.85 (9)°, respectively, with the central benzene ring. In the crystal, molecules are linked into a three-dimensional supramolecular network by N—H...N, N—H...O and C—H...O hydrogen bonds, and weak C—H...π interactions.

scholarly journals 4-[Bis(2-chloroethyl)amino]benzaldehyde

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
P. Seethalakshmi ◽  
C. Palanivel
Keyword(s):  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Amino Group ◽  
Amino Groups ◽  
Torsion Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C11H13Cl2NO, the chloroethyl amino groups are twisted with respect to the amino group, with N—C—C—Cl torsion angles of −177.4 (4) and 179.2 (3)°. The carbonyl group lies in the plane of the benzene ring to which it is attached; torsion angles Car—Car—C=O are 0.1 (8) and −178.2 (5)°. In the crystal, C—H...Cl and C—H...O hydrogen bonds link the molecules, forming sheets parallel to (20-1). The sheets are linked by C—H...π interactions, forming a three-dimensional framework.

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