scholarly journals {2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone

2014 ◽  
Vol 70 (4) ◽  
pp. o501-o502 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Thammarse S. Yamuna ◽  
H. S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Infinite Chain ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Indole Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The title compound, C24H20N2OS, crystallizes with two independent molecules (AandB) in the asymmetric unit, in each of which the cyclohexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thiophene rings by 69.0 (7) and 8.3 (5)°, respectively, in moleculeAand by 65.4 (9) and 6.7 (5)°, respectively, in moleculeB. The dihedral angles between the mean planes of the phenyl and thiophene rings are 63.0 (4) and 58.8 (9)° in moleculesAandB, respectively. In the crystal, N—H...O hydrogen bonds lead to the formation of an infinite chain along [101]. In addition, π–π stacking interactions are observed involving the thiophene and pyrrole rings of the two molecules, with a shortest intercentroid distance of 3.468 (2) Å.

scholarly journals MethylN-hydroxy-N-(2-methylphenyl)carbamate

2013 ◽  
Vol 69 (2) ◽  
pp. o230-o230
Author(s):  
Binbin Zhang ◽  
Yifeng Wang ◽  
Kun Dong ◽  
Danqian Xu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

There are three independent molecules in the asymmetric unit of the title compound, C9H11NO3, which are connected by O—H...O hydrogen bonds, forming anR33(15) ring. The dihedral angles between the planes of the benzene and amide groups are 75.16 (3), 71.47 (3) and 70.56 (3)°. The hydroxy O atom lies 0.912 (3), 1.172 (2) and 1.339 (2) Å from the mean plane of the corresponding benzene ring in the three molecules.

scholarly journals 2-(1,3-Benzodioxol-5-yl)-1H-benzimidazole

2014 ◽  
Vol 70 (2) ◽  
pp. o157-o157
Author(s):  
Nadir Ghichi ◽  
Mohamed Amine Benaouida ◽  
Ali Benosmane ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H10N2O2, contains two independent molecules. In each molecule, the benzodioxole ring system displays an envelope conformation, with the methylene C atom located at the flap deviating by 0.081 (2) and 0.230 (2) Å from the mean plane formed by the other atoms. The dihedral angles between the benzoimidazole ring system (all atoms) and the benzodioxole benzene ring are 15.35 (6) and 10.99 (7)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into chains running along the [101].

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.

scholarly journals (6-Fluoro-2-oxo-2H-chromen-4-yl)methyl diethylcarbamodithioate

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Nasseem El-Khatatneh ◽  
Chandra ◽  
B. M. Rajesh ◽  
Shamantha Kumar ◽  
B. H. Doreswamy ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Chromene Ring

The title compound, C15H16FNO2S2, crystallizes with two independent molecules (AandB) in the asymmetric unit. They differ essentially in the orientation of the ethyl groups. The chromene rings are planar (r.m.s. deviations = 0.013 Å for both molecules), with the maximum deviation from the ring planes being 0.014 (2) and 0.018 (2) Å for atoms C9Aand C9B, respectively. The mean plane of the chromene ring makes dihedral angles of 80.01 (7) and 76.97 (8)° with the carbamodithioate moiety [(N—C(=S)—S] of moleculesAandB, respectively. In the crystal, the two molecules are linked by C—H...S hydrogen bonds, forming a ladder-like arrangement propagating along thea-axis direction. Within the ladders there are offset π–π interactions involving the coumarins rings of theBmolecules [intercentroid distances vary from 3.705 (2) to 3.860 (1) Å]. Neighbouring ladders are linkedviaoffset π–π interactions involving the coumarins rings of theAmolecules [intercentroid distances vary from 3.539 (1) to 3.601 (1) Å]. These latter interactions lead to the formation of layers parallel to theacplane.

scholarly journals Crystal structure of oxamyl

2016 ◽  
Vol 72 (12) ◽  
pp. 1816-1818 ◽  
Author(s):  
Eunjin Kwon ◽  
Ki-Min Park ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Independent Molecules

The title compound, C7H13N3O3S [systematic name: (Z)-methyl 2-dimethylamino-N-(methylcarbamoyloxy)-2-oxoethanimidothioate], is an oxime carbamate acaride, insecticide and nematicide. The asymmetric unit comprises two independent molecules,AandB. The dihedral angles between the mean planes [r.m.s. deviations = 0.0017 (A) and 0.0016 Å (B)] of the acetamide and oxyimino groups are 88.80 (8)° forAand 87.05 (8)° forB. In the crystal, N/C—H...O hydrogen bonds link adjacent molecules, forming chains along theaaxis. The chains are further linked by C—H...O hydrogen bonds, resulting in a three-dimensional network with alternating rows ofAandBmolecules in thebcplane stacked along thea-axis direction. The structure was refined as an inversion twin with a final BASF parameter of 0.16 (9).

scholarly journals 1-[(1R,2S,4R,7S)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.02,4]undecan-7-yl]ethanone

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Mustapha Ait Elhad ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The title compound, C16H24Cl2O, crystallizes with two independent molecules in the asymmetric unit. Each molecule is built up from two fused six-membered rings, one of which is fused to a three-membered ring. The two molecules differ essentially in the orientation of two of the methyl groups. The dihedral angles between the mean planes through the two six-membered rings are 57.98 (13) and 55.29 (13)°. The molecular conformation is stabilized by intramolecular C—H...Cl hydrogen bonds.

scholarly journals Ethyl 5-oxo-4-phenyl-5,6-dihydro-4H-1,3,4-oxadiazine-2-carboxylate

2014 ◽  
Vol 70 (6) ◽  
pp. o661-o661
Author(s):  
K. Shubakara ◽  
Chandra ◽  
N. Srikantamurthy ◽  
M. Mahendra ◽  
K. B. Umesha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of title compound, C12H12N2O4, consists of two independent molecules. In each molecule, the oxadiazine ring has a flattened envelope conformation with the methylene C atom as the flap atom, and the ethoxycarbonyl unit is in asyn-periplanarconformation with respect to the oxadiazine ring as indicated by O—C—C=O torsion angles of 1.9 (4) and 2.5 (4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and stacked in a double-column along thea-axis direction.

scholarly journals 2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2495-o2496 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Antar A. Abdelhamid ◽  
Kuldip Singh ◽  
Mahoud A. A. El-Remaily
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C21H18N2O, crystallized with two independent molecules (AandB) in the asymmetric unit. In moleculeA, the central pyridine ring forms dihedral angles of 14.55 (13) and 39.14 (12)° with the terminal phenyl and benzene rings, respectively. The latter rings make a dihedral angle of 33.06 (13)° with each other. The corresponding values for moleculeBare 26.86 (13), 41.82 (12) and 38.99 (13)°, respectively. In the crystal, theBmolecules are linkedviaa pair of weak C—H...N hydrogen bonds, forming inversion dimers. In addition, C—H...π interactions and π–π [centroid–centroid distances = 3.5056 (16) and 3.8569 (17) Å] stacking interactions are observed.

scholarly journals (Z)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-1H-pyrazol-5(4H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2351-o2352 ◽  
Author(s):  
Carlos Bustos ◽  
Andrés Escobar-Fuentealba ◽  
Luis Alvarez-Thon ◽  
Rodrigo Faundez-Gutierrez ◽  
Maria Teresa Garland
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

There are two independent molecules,AandB, in the asymmetric unit of the title compound, C16H12ClN5O3. The relative orientations of the chlorophenyl ring with respect to the pyrazole ring in the two crystallographically independent molecules are different, and their corresponding dihedral angles are −53.3 (2) and 114.09 (18)° in moleculesAandB, respectively. There are two strong intramolecular N—H...O hydrogen bonds, and two weak intramolecular C—H...O and C—H...Cl hydrogen bonds. The crystal packing is constructed by weak C—H...O and N—H...O interactions, and two π–π stacking interactions [centroid–centroid distances = 3.7894 (9) and 3.5719 (10) Å], forming a molecular ladder along theaaxis.

scholarly journals 4-[(4-Bromophenyl)amino]-2-methylidene-4-oxobutanoic acid

2014 ◽  
Vol 70 (7) ◽  
pp. o779-o780
Author(s):  
B. Narayana ◽  
Prakash S. Nayak ◽  
Balladka K. Sarojini ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bonds ◽  
Amide Group ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Carboxylic Acid Groups ◽  
Compound C ◽  
Oxobutanoic Acid ◽  
The Mean ◽  
Graph Set ◽  
Independent Molecules

In the title compound, C11H10BrNO3, two independent molecules (AandB) crystallize in the asymmetric unit. The dihedral angles between the mean planes of the 4-bromophenyl ring and amide group are 24.8 (7) in moleculeAand 77.1 (6)° in moleculeB. The mean plane of the methylidene group is further inclined by 75.6 (4) in moleculeAand 72.5 (6)° in moleculeBfrom that of the amide group. In the crystal, N—H...O hydrogen bonds formed by amide groups and O—H...O hydrogen bonds formed by carboxylic acid groups are observed and supported additionally by weak C—H...O interactions between the methylidene and amide groups. Together, these link the molecules into chains of dimers along [110] and formR22(8) graph-set motifs.

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