scholarly journals Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole

2014 ◽  
Vol 70 (10) ◽  
pp. 224-227 ◽  
Author(s):  
Siddappa Patil ◽  
Alejandro Bugarin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The title compound, C11H12N6O2, a π-conjugated triazene, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have anEconformation about the –N=N– bond and have slightly twisted overall conformations. In moleculeA, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in moleculeBthe two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent molecules are linked to each other by C—H...O hydrogen bonds, forming –A–A–A– and –B–B–B–chains along [100]. The chains are linked by C—H...O and C—H...N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C—H...N hydrogen bonds and π–π interactions [centroid–centroid distance = 3.5243 (5) Å; involving the imidazole ring of molecule A and the benzene ring of moleculeB], forming a three-dimensional framework structure.

scholarly journals Crystal structure ofN-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]acetamide hemihydrate

2015 ◽  
Vol 71 (3) ◽  
pp. o171-o172
Author(s):  
Mehmet Akkurt ◽  
Kyle S. Knight ◽  
Shaaban K. Mohamed ◽  
Bahgat R. M. Hussein ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Interplanar Distance ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The title compound, C9H10N4OS·0.5H2O, crystallizes with two independent molecules (AandB) in the asymmetric unit, together with a water molecule of crystallization. The acetamide moiety, which has an extended conformation, is inclined to the pyridine ring by 7.95 (16)° in moleculeAand by 1.77 (16)° in moleculeB. In the crystal, theAandBmolecules are linked by two N—H...Ocarbonylhydrogen bonds, forming a dimer. The dimers are linkedviaN—H...N hydrogen bonds, forming ribbons that are linked by N—H...Owaterhydrogen bonds to form sheets parallel to (110). The sheets are linked by O—H...N hydrogen bonds, forming slabs, and between the slabs there are weak slipped parallel π–π interactions [inter-centroid distance = 3.734 (2) Å, interplanar distance = 3.3505 (11) Å and slippage = 1.648 Å], forming a three-dimensional structure.

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 Crystal structure ofN-(quinolin-6-yl)hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. 322-324 ◽  
Author(s):  
Anuruddha Rajapakse ◽  
Roman Hillebrand ◽  
Sarah M. Lewis ◽  
Zachary D. Parsons ◽  
Charles L. Barnes ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
A Minor

The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linkedviaone O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit. In the crystal, molecules are further linked by O—H...N and N—H...O hydrogen bonds forming layers parallel to (001). These layers are linkedviaC—H...O hydrogen bonds and a number of weak C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

scholarly journals 4-Chloro-N-methylbenzamide

2012 ◽  
Vol 68 (4) ◽  
pp. o937-o937
Author(s):  
Juan Yuan ◽  
Yan-Ju Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Amide Group ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

There are two molecules in the asymmetric unit of the title compound, C8H8ClNO, which are linked in the crystal structureviaN—H...O hydrogen bonds into chains along thebaxis. C—H...O contacts also occur. The benzene ring makes dihedral angles of 5.9 (1) and 16.7 (1)°with the attached amide group in the two independent molecules.

scholarly journals Crystal structure of (E)-2-{[(4-anilinophenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (1) ◽  
pp. 28-30 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Turganbay S. Iskenderov ◽  
Natalia O. Sharkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Independent Molecules ◽  
Phenol Ring

The title compound, C19H16N2O, crystallized with two independent molecules (AandB) in the asymmetric unit. There is an intramolecular O—H...N hydrogen bond in each molecule with the phenol ring being inclined to the central benzene ring by 4.93 (14) and 7.12 (14)° in moleculesAandB, respectively. The conformation of the two molecules differs essentially in the orientation of the terminal aminophenyl ring with respect to the central benzene ring; this dihedral angle is 50.51 (4)° in moleculeAand 54.61 (14)° in moleculeB. The two outer aromatic rings are inclined to one another by 51.39 (14) and 49.88 (14)° in moleculesAandB, respectively. In the crystal, molecules are connected by N—H...O hydrogen bonds generating –A-B–A–B– zigzag chains extending along [010]. The chains are linkedviaC—H...π interactions involving neighbouringAmolecules, forming slabs lying parallel to (100).

scholarly journals Crystal structure of 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-i][5]helicene-7,9-dione

2014 ◽  
Vol 70 (11) ◽  
pp. 418-420 ◽  
Author(s):  
Thanasat Sooksimuang ◽  
Siriporn Kamtonwong ◽  
Waraporn Parnchan ◽  
Laongdao Kangkaew ◽  
Somboon Sahasithiwat
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Compound C ◽  
Independent Molecules

The title compound, C26H20O5, crystallizes with two independent molecules (AandB) in the asymmetric unit, which differ primarily in the location of the –OCH3groups. In the crystal, the molecules form a layered structure parallel to (10-1) by C—H...O hydrogen-bonded networks. Adjacent layers are also linked by further C—H...O hydrogen bonds, forming a three-dimensional structure.

scholarly journals Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure

2014 ◽  
Vol 70 (11) ◽  
pp. 385-388 ◽  
Author(s):  
Ana María Atria ◽  
Maria Teresa Garland ◽  
Ricardo Baggio
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Compound C ◽  
Acidic Proton ◽  
Centroid Distance ◽  
Benzene Rings

The asymmetric unit of the title compound, C8H9NO2·H2O consists of an isolated 4-(ammoniomethyl)benzoate zwitterion derived from 4-aminomethylbenzoic acid through the migration of the acidic proton, together with a water molecule of crystallization that is disordered over three sites with occupancy ratios (0.50:0.35:0.15). In the crystal structure, N—H...O hydrogen bonds together with π–π stacking of the benzene rings [centroid–centroid distance = 3.8602 (18) Å] result in a strongly linked, compact three-dimensional structure.

scholarly journals Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one

2015 ◽  
Vol 71 (2) ◽  
pp. o123-o124 ◽  
Author(s):  
Preetika Sharma ◽  
K. N. Subbulakshmi ◽  
B. Narayana ◽  
K. Byrappa ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
The Individual

The asymmetric unit of the title compound, C9H7NO2S, contains two crystallographically independent molecules (AandB). Both molecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thiophene rings being inclined to one another by 2.65 (16)° in moleculeAand by 4.55 (15)° in moleculeB. In the crystal, the individual molecules are linkedviaC—H...O hydrogen bonds, forming –A–B–A–B– chains along the [10-1] direction. The chains are linkedviaC—H...π and π–π interactions [intercentroid distances = 3.767 (2) and 3.867 (2) Å] involving inversion-related oxazole and thiophene rings in both molecules, forming a three-dimensional structure.

scholarly journals Crystal structure of (E)-4-{1-[2-(carbamothioyl)hydrazin-1-ylidene]ethyl}phenyl 4-methylbenzoate

2015 ◽  
Vol 71 (1) ◽  
pp. o43-o44 ◽  
Author(s):  
Karthik Ananth Mani ◽  
Vijayan Viswanathan ◽  
S. Narasimhan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent molecules,AandB, with different conformations: in moleculeA, the dihedral angles between the central benzene ring and the pendant tolyl and carbamothioylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in moleculeBare 50.56 (12) and 26.43 (11)°, respectively. Both molecules feature an intramolecular N—H...N hydrogen bond, which closes anS(5) ring. In the crystal, molecules are linked by N—H...O, N—H...S and C—H...O hydrogen bonds, generating a three-dimensional network.

scholarly journals Crystal structure of penoxsulam

2017 ◽  
Vol 73 (9) ◽  
pp. 1312-1315
Author(s):  
Hyunjin Park ◽  
Jineun Kim ◽  
Hojae Chiang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C16H14F5N5O5S [systematic name: 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide], is used as a herbicide. The asymmetric unit of this structure comprises two independent molecules,AandB. The dihedral angles between the ring planes of the triazolopyrimidine ring systems and the benzene rings are 68.84 (7)° forAand 68.05 (6)° forB. In the crystal, weak intermolecular π–π interactions, with centroid–centroid separations of 3.4456 (17) and 3.5289 (15) Å and C—F...π [3.5335 (17) Å and 107.92 (13)°] contacts link adjacent molecules into chains along [001]. C—H...O and C—H...F hydrogen bonds link typeBmolecules into chains parallel to (100). Additional C—H...F hydrogen bonds together with short F...F contacts further aggregate the structure into a three-dimensional network.

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