scholarly journals Crystal structure of 2,3-dimethoxy-N-(4-nitrophenyl)benzamide

2018 ◽  
Vol 74 (1) ◽  
pp. 41-44 ◽  
Author(s):  
Mavişe Yaman ◽  
Zainab M. Almarhoon ◽  
Şükriye Çakmak ◽  
Halil Kütük ◽  
Güngör Meral ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Two Dimensional ◽  
Compound C ◽  
Centroid Distance ◽  
Methoxy Groups ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound, C15H14N2O5, the benzene rings are nearly coplanar, making a dihedral angle of 4.89 (8)°. An intramolecular N—H...O hydrogen bond occurs between the imino and methoxy groups. In the crystal, weak C—H...O hydrogen bonds link the molecules into supramolecular chains propagating along thea-axis direction. π–π stacking is observed between parallel benzene rings of neighbouring chains, the centroid-to-centroid distance being 3.6491 (10) Å. Three-dimensional Hirshfeld surface analyses and two-dimensional fingerprint plots have been used to analyse the intermolecular interactions present in the crystal.

scholarly journals 2-(2-Chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-iodoquinolin-4(1H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Shamantha Kumar ◽  
Chandra ◽  
A. C. Vinayaka ◽  
M. Mahendra ◽  
M. P. Sadashiva ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Methoxy Groups ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound C24H17ClINO4, the iodoquinolinyl moiety (r.m.s. deviation = 0.044 Å) makes dihedral angles of 87.44 (10) and 88.64 (10)° with the chloro- and methoxy-substituted benzene rings, respectively. The methoxy groups are present in synperiplanar and antiperiplanar conformations with respect to the benzene ring they are bound to, as indicated by the C—C—O—C torsion angle values of −16.2 (3) and 177.6 (2)°, respectively. The crystal structure features relatively strong methoxybenzene-C—H...O(quinolinyl) hydrogen bonds, leading to helical supramolecular chains along thea-axis direction. Additional C—H...O interactions along with π-stacking [inter-centroid distance = 3.6070 (16) Å between quinolyl-NC5and C6rings] consolidate the three-dimensional molecular packing.

scholarly journals (2Z)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis

2016 ◽  
Vol 72 (6) ◽  
pp. 849-853 ◽  
Author(s):  
Sze-Ling Lee ◽  
Ai Ling Tan ◽  
David J. Young ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Surface Analysis ◽  
Electrostatic Potential ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Supramolecular Chains

The title compound, C13H10N2O2[also called 1-(pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione], features an almost planar (r.m.s. deviation = 0.0095 Å) central C3O2core consolidated by an intramolecular hydroxy-O—H...O(carbonyl) hydrogen bond. Twists are evident in the molecule, as seen in the dihedral angles between the central core and the 2- and pyridin-3-yl rings of 8.91 (7) and 15.88 (6)°, respectively. The conformation about the C=C bond [1.3931 (17) Å] isZ, and the N atoms lie to the same side of the molecule. In the molecular packing, supramolecular chains along theaaxis are mediated by π(pyridin-2-yl)–π(pyridin-3-yl) interactions [inter-centroid distance = 3.7662 (9) Å]. The observation that chains pack with no directional interactions between them is consistent with the calculated electrostatic potential, which indicates that repulsive interactions dominate.

scholarly journals 2-(4-Bromophenyl)-N-(5-methylpyridin-2-yl)acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2526-o2526 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Chin Wei Ooi ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

The asymmetric unit of the title compound, C14H13BrN2O, consists of two molecules; the dihedral angles between the pyridine and benzene rings are 87.99 (9) and 84.28 (9)°. An intramolecular C—H...O hydrogen bond generates anS(6) ring in each molecule. In the crystal, molecules are linkedviaN—H...N and C—H...O hydrogen bonds into a three-dimensional network. The crystal structure also features weak π–π stacking interactrions between the benzene rings [centroid-to-centroid distance = 3.6829 (12) Å].

scholarly journals Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate

2015 ◽  
Vol 71 (7) ◽  
pp. 734-736
Author(s):  
S. Sravya ◽  
S. Sruthy ◽  
N. Aiswarya ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Organic Molecules ◽  
Three Dimensional ◽  
Bond Forming ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C13H10BrN3O2·H2O, the conformation about the azomethine double bond isE. The molecule exists in the amido form with a C=O bond length of 1.229 (2) Å. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. The whole molecule is almost planar, with an r.m.s. deviation of 0.021 Å for all non-H atoms, and the dihedral angle between the planes of the pyridine and benzene rings is 0.74 (12)°. In the crystal, the water molecule of crystallization links the organic moleculesviaOw—H...O, Ow—H...N and N—H...Ow hydrogen bonds and short C—H...Ow contacts, forming sheets lying parallel to (100). Within the sheets there is a weak π–π interaction involving the pyridine and benzene rings [centroid-to-centroid distance = 3.8473 (15) Å]. The sheets are linkedviaC—H...Br interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 5-chloro-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran

2014 ◽  
Vol 70 (10) ◽  
pp. o1078-o1079
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Supramolecular Network ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C17H14ClFO2S, the dihedral angle between the mean planes of the benzofuran ring system [maximum deviation = 0.037 (2) Å] and the 4-fluorobenzene ring is 71.92 (5)°. An intramolecular C—H...O hydrogen bond occurs. In the crystal, molecules are linked by π–π stacking between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.7103 (10) Å]. These molecules are further linked by C—S...π [S...centroid = 3.570 (1) Å] and C—H...O interactions, resulting in a three-dimensional supramolecular network.

scholarly journals Crystal structure of 2-benzylamino-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

2014 ◽  
Vol 70 (12) ◽  
pp. 525-527 ◽  
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Compound C ◽  
Centroid Distance ◽  
Steric Crowding ◽  
Benzene Rings ◽  
Group A

The title compound, C25H25N3O, comprises a 2-aminopyridine ring fused with a cycloheptane ring, which adopts a chair conformation. The central pyridine ring (r.m.s. deviation = 0.013 Å) carries three substituents,viz.a benzylamino group, a methoxyphenyl ring and a carbonitrile group. The N atom of the carbonitrile group is significantly displaced [by 0.2247 (1) Å] from the plane of the pyridine ring, probably due to steric crowding involving the adjacent substituents. The phenyl and benzene rings are inclined to one another by 58.91 (7)° and to the pyridine ring by 76.68 (7) and 49.80 (6)°, respectively. In the crystal, inversion dimers linked by pairs of N—H...Nnitrilehydrogen bonds generateR22(14) loops. The dimers are linked by C—H...π and slipped parallel π–π interactions [centroid–centroid distance = 3.6532 (3) Å] into a three-dimensional structure.

scholarly journals Crystal structure of 4-bromo-2-(1H-imidazo[4,5-b]pyridin-2-yl)phenol

2015 ◽  
Vol 71 (12) ◽  
pp. o991-o992
Author(s):  
Kamel Ouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Bond Forming ◽  
Pyridine Moiety ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaN—H...N and O—H...Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π–π interactions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related molecules, forming a three-dimensional structure.

scholarly journals 4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis

2017 ◽  
Vol 73 (11) ◽  
pp. 1716-1720 ◽  
Author(s):  
Julio Zukerman-Schpector ◽  
Sofia Dallasta Pedroso ◽  
Lucas Sousa Madureira ◽  
Márcio Weber Paixão ◽  
Akbar Ali ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Aromatic Rings ◽  
Compound C ◽  
Centroid Distance ◽  
Hirshfeld Analysis ◽  
Intermolecular Contacts

The molecule in the title compound, C15H12N4O2, has a twistedL-shape with the dihedral angle between the aromatic rings of the N-bound benzene and C-bound benzyl groups being 70.60 (9)°. The nitro group is co-planar with the benzene ring to which it is connected [C—C—N—O torsion angle = 0.4 (3)°]. The three-dimensional packing is stabilized by a combination of methylene-C—H...O(nitro), methylene-C—H...π(phenyl), phenyl-C—H...π(triazolyl) and nitro-O...π(nitrobenzene) interactions, along with weak π(triazolyl)–π(nitrobenzene) contacts [inter-centroid distance = 3.8386 (10) Å]. The importance of the specified intermolecular contacts has been verified by an analysis of the calculated Hirshfeld surface.

scholarly journals 1-{(E)-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2-methylphenyl)urea

2012 ◽  
Vol 68 (6) ◽  
pp. o1848-o1849 ◽  
Author(s):  
Mohamed I. Attia ◽  
Mohamed N. Aboul-Enein ◽  
Nasser R. El-Brollosy ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Aromatic Rings ◽  
Compound C ◽  
Imine Bond ◽  
Supramolecular Chains

In the title compound, C20H21N5O, the conformation about the imine bond [1.289 (3) Å] is E. Overall, the molecule is disk-shaped with the imidazole ring located above the remainder of the molecule and with the dihedral angles of 10.97 (15) and 12.11 (15)°, respectively, between the imidazole ring and the phenyl and methylbenzene rings; the dihedral angle between the aromatic rings is 8.17 (14)°. Within the urea unit, the N—H atoms are anti to each other and one of the N—H atoms forms an intramolecular N—H...N hydrogen bond. Helical supramolecular chains along [001] are formed via N—H...N(imidazole) hydrogen bonds in the crystal structure. These are connected into a three-dimensional architecture by C—H...O(carbonyl) and C—H...π interactions.

scholarly journals 4-Fluoro-2-[(3-methylphenyl)iminomethyl]phenol

2012 ◽  
Vol 68 (4) ◽  
pp. o1071-o1071
Author(s):  
Alice Brink ◽  
Hendrik G. Visser ◽  
Andreas Roodt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The title compound, C14H12FNO, crystallizes as thetransphenol–imine tautomer. The two benzene rings are essentially coplanar, being inclined to one another by 9.28 (7)°. This is at least in part due to the intramolecular O—H...N hydrogen bond between the hydroxy O atom and the imine N atom. The crystal structure is stabilized by an array of weak C—H...O and C—H...F interactions, which link the molecules into a stable three-dimensional network.

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