scholarly journals 3-Hydroxy-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one:cisisomer

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Mohammed Rida ◽  
Youness El Bakri ◽  
Mohamadou Lamine Doumbia ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Boat Conformation ◽  
Aromatic Rings ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Twist Boat

In the title compound, C15H14N2O2, the seven-membered benzodiazepine ring adopts a twist-boat conformation and the two aromatic rings are inclined to one another by 81.06 (15)°. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains propagating along the [10-1] direction. The chains are linked by C—H...O hydrogen bonds, forming sheets parallel to theacplane. Within the sheets, there are N—H...π interactions present, and C—H...π interactions link the sheets to form a three-dimensional structure.

scholarly journals 5-Bromo-1-methylindoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Yassine Kharbach ◽  
Amal Haoudi ◽  
Frédéric Capet ◽  
Ahmed Mazzah ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C9H6BrNO2, the indoline ring system, the two ketone O atoms and the Br atom are nearly coplanar, with the largest deviation from the mean plane being −0.1025 (4) Å. In the crystal, molecules are linked by two weak C—H...O hydrogen bonds and π–π interactions [inter-centroid distance = 3.510 (2) Å], forming a three-dimensional structure.

scholarly journals 8-Hydroxy-3,4-bis(4-methoxyphenyl)-1H-isochromen-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Sivakalai Mayakrishnan ◽  
Y. Arun ◽  
Narayanan Uma Maheswari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C23H18O5, the two methoxy-substituted benzene rings are inclined to one another by 67.0 (2)° and to the mean plane of the 1H-isochromene ring system by 67.21 (16) and 27.61 (17)°. There is an intramolecular C—H...π interaction present involving the two 4-methoxyphenyl rings. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains propagating along the [301] direction. The chains are linked by a number of C—H...π interactions, forming a three-dimensional structure.

scholarly journals 1-(Furan-2-yl)-2-(2H-indazol-2-yl)ethanone

2014 ◽  
Vol 70 (4) ◽  
pp. o505-o505 ◽  
Author(s):  
Özden Özel Güven ◽  
Gökhan Türk ◽  
Philip D. F. Adler ◽  
Simon J. Coles ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The asymmetric unit of the title compound, C13H10N2O2, contains two crystallographically independent molecules (AandB). The indazole ring systems are approximately planar [maximum deviations = 0.0037 (15) and −0.0198 (15) Å], and their mean planes are oriented at 80.10 (5) and 65.97 (4)° with respect to the furan rings in moleculesAandB, respectively. In the crystal, pairs of C—H...N hydrogen bonds link theBmolecules, forming inversion dimers. These dimers are bridged by theAmoleculesviaC—H...O hydrogen bonds, forming sheets parallel to (011). There are also C—H...π interactions present, and π–π interactions between neighbouring furan and the indazole rings [centroid–centroid distance = 3.8708 (9) Å] of inversion-related molecules, forming a three-dimensional structure.

scholarly journals 1-(4-Nitrophenyl)-2-({4-phenyl-5-[(p-tolyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Elham A. Al-Taifi ◽  
Manpreet Kaur ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Jerry P. Jasinski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centrosymmetric Dimers ◽  
Ring Motif

In the crystal structure of the title compound, C24H21N5O4S, centrosymmetric dimers with an R 2 2(16) ring motif, lying in the (010) plane, are formed as a result of pairwise N—H...N hydrogen bonds. These dimers further interact through C—H...O and C—H...π interactions to construct a complex extended three-dimensional structure.

scholarly journals 5-Chloro-2-(2-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (6) ◽  
pp. o706-o706
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C16H12ClFO2S, the dihedral angle between the mean planes of the benzofuran and 2-fluorophenyl rings is 34.85 (6)°. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming zigzag chains along [001]. The chains are linked by C—H...π interactions, forming a three-dimensional structure.

scholarly journals Crystal structure of dimethomorph

2015 ◽  
Vol 71 (9) ◽  
pp. o654-o654
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C21H22ClNO4[systematic name: (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chlorophenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively. In the crystal, molecules are linkedviaC—H...O hydrogen bonds and weak Cl...π interactions [3.8539 (11) Å], forming a three-dimensional structure.

scholarly journals 1-Acetyl-5-methoxy-4-(phenylsulfanyl)imidazolidin-2-one

2014 ◽  
Vol 70 (2) ◽  
pp. o145-o146
Author(s):  
Joel T. Mague ◽  
Alaa A.-M. Abdel-Aziz ◽  
Adel S. El-Azab ◽  
Amer M. Alanazi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C12H14N2O3S, crystallizes with two independent molecules (AandB) in the asymmetric unit. The five-membered imidazolidin-2-one rings in both molecules are twisted about the C—C bond. In the crystal, theAandBmolecules are associatedviapairs of N—H...O hydrogen bonds, formingA–Bdimers. These dimers are linkedviaC—H...S hydrogen bonds, forming double dimers, which are in turn linkedviaC—H...O hydrogen bonds forming two-dimensional networks lying parallel to (001). There are also C—H...π interactions present, which consolide the layers and link them, so forming a three-dimensional structure.

scholarly journals Crystal structure of 4-(3,4-dicyanophenoxy)-N-[3-(dimethylamino)propyl]benzamide monohydrate: a phenoxyphthalonitrile derivative

2015 ◽  
Vol 71 (9) ◽  
pp. 1042-1044
Author(s):  
Senem Çolak ◽  
Salih Zeki Yıldız ◽  
Nagihan Çaylak Delibaş ◽  
Hasan Pişkin ◽  
Tuncer Hökelek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Extended Conformation ◽  
Compound C

In the title compound, C20H20N4O2·H2O, the planes of the phenoxy and phthalonitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(dimethylamino)propyl chain has an extended conformation and isciswith respect to the phthalonitrile ring. In the crystal, O—H...O, O—H...N and N—H...O hydrogen bonds link the molecules to form slabs parallel to (100). There are also C—H...O and C—H...N hydrogen bonds and C—H...π interactions present within the slabs. The slabs are linked by a pair of inversion-related C—H...N hydrogen bonds, involving phthalonitrile rings, forming a three-dimensional structure.

scholarly journals (Z)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Mohammad Nadeem Lone ◽  
Necmi Dege ◽  
Turganbay Iskenderov ◽  
Sergey Malinkin
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C

In the title compound, C14H14N2O4S, the benzene and thiazolidine rings are almost coplanar with a dihedral angle of 2.98 (14)°. The butyl chain is directed almost perpendicular to the plane of the rest of the molecule. In the crystal, a combination of C—H...O hydrogen bonds and offset π–π interactions leads to the formation of a three-dimensional structure.

scholarly journals N′-[(E)-4-Methoxybenzylidene]-2-(4-methylphenoxy)acetohydrazide

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Seranthimata Samshuddin ◽  
S. Naveen ◽  
Dandavathi Arunkumar ◽  
A. Mahesha ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C17H18N2O3, crystallizes with two independent molecules (AandB) in the asymmetric unit. The dihedral angle between the 4-methoxyphenyl ring and the toluene ring is 88.13 (10)° in moleculeAand 61.47 (10)° in moleculeB. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, formingA–AandB–Binversion dimers withR22(8) ring motifs. TheB–Bdimers are linked by C—H...O hydrogen bonds, forming chains propagating along the [110] direction. The molecules are also linked by a series of C—H...π interactions, forming a three-dimensional structure.

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