scholarly journals 4-Iodo-N-(o-tolylsulfonyl)benzamide

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
S. Naveen ◽  
E. Suresha ◽  
A. G. Sudha ◽  
N. K. Lokanath ◽  
P. A. Suchetan ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C14H12INO3S, crystallizes with two independent molecules (AandB) in the asymmetric unit. The dihedral angle between the two aryl rings is 83.1 (4)° in moleculeAand 79.8 (4)° in moleculeB. In the crystal, the two molecules are linked by a pair of N—H...O hydrogen bonds, forming anA–Bdimer with anR22(8) ring motif. The dimer is further strengthened by a pair of C—H...O hydrogen bonds with anR22(14) motif. Another pair of C—H...O interactions assembles these dimers along the diagonal of thebcplane, forming ribbons. Adjacent ribbons are connected by C—H...πarylinteractions between theAmolecules, and thus the overall supramolecular architecture is one-dimensional.

scholarly journals Crystal structure of benzyl (E)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate

2015 ◽  
Vol 71 (2) ◽  
pp. 238-240 ◽  
Author(s):  
Yew-Fung Tan ◽  
Mohammed Khaled bin Break ◽  
M. Ibrahim M. Tahir ◽  
Teng-Jin Khoo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Condensation Reaction ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C17H18N2O2S2, synthesizedviaa condensation reaction betweenS-benzyl dithiocarbazate and 3,4-dimethoxybenzaldehyde, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have an L-shape but differ in the orientation of the benzyl ring with respect to the 3,4-dimethoxybenzylidine ring, this dihedral angle is 65.59 (8)° in moleculeAand 73.10 (8)° in moleculeB. In the crystal, theAandBmolecules are linkedviapairs of N—H...S hydrogen bonds, forming dimers with anR22(8) ring motif. The dimers are linkedviapairs of C—H...O hydrogen bonds, giving inversion dimers of dimers. These units are linked by C—H...π interactions, forming ribbons propagating in the [100] direction.

scholarly journals 4-Cyano-3,5-bis(phenyl)pyrazole

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Ningfeng Zhao ◽  
Aanuoluwapo Adeyemi ◽  
Arielle Pompilius
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

There are two independent molecules in the asymmetric unit of the title compound, C16H11N3. The molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(6) ring motif.

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

scholarly journals 6,7-Dimethoxy-2,4-diphenylquinoline

2014 ◽  
Vol 70 (2) ◽  
pp. o165-o165
Author(s):  
M. Prabhuswamy ◽  
S. Madan Kumar ◽  
T. R. Swaroop ◽  
K. S. Rangappa ◽  
N. K. Lokanath
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Independent Molecules ◽  
Dimeric Aggregates

In the title structure of the title compound, C23H19NO2, two conformationally similar molecules (AandB) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25 (8)° in moleculeAand 70.39 (9)° in moleculeB. In the crystal, the independent molecules are connected by C—H...O hydrogen bonds and the resulting dimeric aggregates are linked by π–π [inter-centroid distance = 3.7370 (8) Å] and C—H...π interactions, forming a three-dimensional architecture.

scholarly journals 1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o1267-o1267 ◽  
Author(s):  
Mohd Sukeri Mohd Yusof ◽  
Nur Farhana Embong ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C11H12BrClN2OS, consists of two crystallographically independent molecules. In each molecule, the butanoylthiourea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26 (7) and 82.41 (7)°. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif in each butanoylthiourea unit. In the crystal, N—H...O hydrogen bonds link the two independent molecules together, forming anR22(12) ring motif. The molecules are further connected into a tape along thecaxisviaN—H...S and C—H...S hydrogen bonds.

9-(Methoxymethyl)anthracene

2007 ◽  
Vol 63 (11) ◽  
pp. o4442-o4442 ◽  
Author(s):  
Jie Liu ◽  
Guo-Hua Wei ◽  
Guang-Ju Ping ◽  
Jian-Fang Ma
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14O, crystallizes with two independent molecules in the asymmetric unit, one of which lies on a crystallographic mirror plane. Intermolecular C—H...O hydrogen bonds link the molecules into infinite one-dimensional chains.

scholarly journals 2,2′-Bis{8-[(benzylamino)methylidene]-1,6-dihydroxy-5-isopropyl-3-methylnaphthalen-7(8H)-one}

2013 ◽  
Vol 69 (11) ◽  
pp. o1626-o1627
Author(s):  
Shukhrat M. Hakberdiev ◽  
Samat A. Talipov ◽  
Davranbek N. Dalimov ◽  
Bakhtiyar T. Ibragimov
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C44H44N2O6, contains two independent molecules with similar conformations. The dihydronaphthalene ring systems are approximately planar [maximum deviations = 0.036 (2), 0.128 (2), 0.0.24 (2) and 0.075 (2) Å]. The dihedral angle between two dihydronaphthalene ring systems is 83.37 (4)° in one molecule and 88.99 (4)° in the other. The carbonyl O atom is linked with the adjacent hydroxy and imino groupsviaintramolecular O—H...O and N—H...O hydrogen bonds. In the crystal, molecules are linked through O—H...O hydrogen bonds into layers parallel to (001), and adjacent layers are further stacked by π–π interactions between dihydronaphthalene and phenyl rings into a three-dimensional supramolecular architecture. In the crystal, one of the isopropyl groups is disordered over two positions with an occupancy ratio of 0.684 (8):0.316 (8).

scholarly journals Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate

2014 ◽  
Vol 70 (10) ◽  
pp. o1122-o1123
Author(s):  
Julio Zukerman-Schpector ◽  
I. Caracelli ◽  
Hélio A. Stefani ◽  
Amna N. Khan ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

In the title compound, C15H20BrNO2, there are two independent molecules (AandB) comprising the asymmetric unit and these adopt very similar conformations. InA, the dihedral angle between the CO2and MeC=CMe2groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromobenzene ring. The equivalent dihedral angles for moleculeBare 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent interactions in the crystal packing are amine-N—H...O(carbonyl) hydrogen bonds between the two independent molecules, resulting in non-centrosymmetric ten-membered {...OC2NH}2synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.

scholarly journals 2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Dulal Hossain ◽  
Md Chanmiya Sheikh ◽  
Ryuta Miyatake ◽  
Md Ashraful Alam
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Ring Motif

The new bromo-substituted title compound, C14H11Br2NO2, was synthesized by the condensation of 3,5-dibromosalicylaldehyde and 2-amino-4-methyl phenol. The asymmetric unit consists of two crystallographically independent molecules (AandB), which are related to each other by a pseudo-inversion centre. Both molecules are almost planar; dihedral angles between the two benzene rings are 11.40 (11)° forAand 3.05 (12)° forB. In each molecule, there is an intramolecular N—H...O hydrogen bond with anS(6) ring motif. In the crystal, two independent molecules are linked by O—H...O hydrogen bonds, forming a pseudo-inversionA–Bdimer.

scholarly journals N′-(2-Hydroxy-3,5-diiodobenzylidene)-2-methoxybenzohydrazide

2009 ◽  
Vol 65 (6) ◽  
pp. o1410-o1410
Author(s):  
San-Jun Peng ◽  
Fen Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methanol Solution ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C15H12I2N2O3, was synthesized by the condensation of equimolar amounts of 3,5-diiodosalicylaldehyde and 2-methoxybenzohydrazide in a methanol solution. There are two independent molecules,AandB, in the asymmetric unit. The dihedral angle between the two benzene rings is 30.2 (2)° for moleculeAand 21.7 (2)° for molecule B. There are intramolecular O—H...N and N—H...O hydrogen bonds in each molecule. The crystal studied was an inversion twin with a 0.59 (3):0.41 (3) domain ratio.

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