scholarly journals Crystal structure ofN-(propan-2-ylcarbamothioyl)benzamide

2015 ◽  
Vol 71 (1) ◽  
pp. o56-o57
Author(s):  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Mohamed A. Gad ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Central Plane ◽  
Prominent Feature ◽  
Compound C ◽  
Centrosymmetric Dimers

In the crystal structure of the title compound, C11H14N2OS, the six atoms of the central C2N2OS residue are coplanar (r.m.s. deviation = 0.002 Å), which facilitates the formation of an intramolecular N—H...O hydrogen bond, which closes anS(6) loop. The terminal phenyl ring is inclined with respect to the central plane [dihedral angle = 42.10 (6)°]. The most prominent feature of the crystal packing is the formation of {...HNCS}2synthons resulting in centrosymmetric dimers.

scholarly journals Crystal structure of 2-benzamido-N-(2,2-diethoxyethyl)benzamide

2015 ◽  
Vol 71 (3) ◽  
pp. o214-o215
Author(s):  
Abdelaaziz Ouahrouch ◽  
Moha Taourirte ◽  
Hassan B. Lazrek ◽  
Joachim W. Engels ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Peptide Bonds ◽  
Axis Direction ◽  
Compound C

In the title compound, C20H24N2O4, both peptide bonds adopt atransconfiguration with respect to the —N—H and —C=O groups. The dihedral angle between the aromatic rings is 53.58 (4)°. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond. The crystal packing is characterized by zigzag chains of N—H...O hydrogen-bonded molecules running along theb-axis direction.

scholarly journals Crystal structure of (E)-N'-[1-(4-aminophenyl)ethylidene]-2-hydroxy-5-iodobenzohydrazide methanol monosolvate

2018 ◽  
Vol 74 (7) ◽  
pp. 910-914
Author(s):  
Cong Nguyen Tien ◽  
Huong Le Thi Thu ◽  
Thin Nguyen Van ◽  
Trung Vu Quoc ◽  
Manh Vu Quoc ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C15H14IN3O2·CH3OH, two aromatic rings are linked by an N-substituted hydrazide function. The dihedral angle between the aromatic rings is 10.53 (8)°. The stereochemistry about the imine function is E. The methanol molecule forms an O—H...O hydrogen bond to the hydrazide O atom. In the crystal, chains of molecules running along the c-axis direction are formed by O—H...O hydrogen bonds. Adjacent chains are linked through N—H...O hydrogen bonds and π–π stacking interactions. The intermolecular interactions in the crystal packing were investigated using Hirshfeld surface analysis, which indicated that the most significant contacts are H...H (38.2%), followed by C...H/H...C (20.6%), O...H/H...O (11.1%) and I...H/H...I (9.7%).

scholarly journals Crystal structure of 2-oxo-N′-phenyl-2H-chromene-3-carbohydrazide

2015 ◽  
Vol 71 (12) ◽  
pp. o1005-o1006
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Side Chain ◽  
Compound C ◽  
The Mean

In the title compound, C16H12N2O3, the 2H-chromene moiety is essentially planar, with an r.m.s. deviation of the nine constituent atoms from the mean plane of 0.0093 Å, and makes a dihedral angle of 76.84 (3)° with the pendant phenyl ring. An intramolecular N—H...O hydrogen bond helps to determine the conformation of the side chain. In the crystal, N—H...O and N—H...N hydrogen bonds link the molecules, forming [100] chains.

scholarly journals 9-O-Butylberberrubinium bromide

2009 ◽  
Vol 65 (6) ◽  
pp. o1370-o1370 ◽  
Author(s):  
Zhu Chen ◽  
Xue-Gang Li ◽  
Yong-Sheng Xie ◽  
Xiao-Li Ye
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C23H24NO4+·Br−, the butyl chain is disordered between two conformations; the occupancies refined to 0.735 (7) and 0.265 (7). The dihedral angle between the naphthalene ring system and the phenyl ring is 11.6 (2)°. In the crystal structure, the cations are packedviaπ–π interactions into stacks propagating in the [010] direction. Weak intermolecular C—H...O and C—H...Br hydrogen bonds contribute further to the crystal packing stability.

scholarly journals Crystal structure of (Z)-N′-[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propyl]benzenesulfonohydrazide

2015 ◽  
Vol 71 (5) ◽  
pp. 487-489
Author(s):  
Chuan-Chuan He ◽  
Guan-Cheng Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Keto Form ◽  
Short Contact ◽  
Compound C ◽  
Ring Motif

The title compound, C19H20N4O3S, was synthesized by refluxing equimolar amounts of 1-phenyl-3-methyl-4-propionylpyrazol-5-one and benzenesulfonyl hydrazide in ethanol. The compound crystallizes in the keto form and the carbonyl O atom forms an intramolecular N—H...O hydrogen bond with the neighbouring NH group. There is also C—H...O short contact involving the neighbouring phenyl ring. Probably as a result of this, the phenyl ring is inclined to the pyrazolone ring by only 7.58 (12)°. The dihedral angle between the phenyl ring and the benzenesulfonyl ring is 22.78 (11)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(14) ring motif. The dimers are linkedviapairs of C—H...O hydrogen bonds, forming chains propagating along [100].

scholarly journals Crystal structure of 2-[2-(hydroxyimino)-1-phenylpropylidene]-N-phenylhydrazinecarbothioamide

2015 ◽  
Vol 71 (10) ◽  
pp. o796-o797
Author(s):  
Brian J. Anderson ◽  
Michael B. Freedman ◽  
Sean P. Millikan ◽  
Victoria A. Smolenski ◽  
Jerry P. Jasinski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Π Interactions ◽  
Compound C ◽  
Graph Set

In the title compound, C16H16N4OS, an intramolecular C—H...S hydrogen bond is observed. With the exception of the phenyl ring of the phenylpropylidene unit, the remainder of the molecule has an almost planar skeleton with an r.m.s. deviation of 0.121 (5) Å from the plane through the remaining 16 atoms. In the crystal O—H...N hydrogen bonds are observed between the terminal hydroxyimino groups, forming inverson dimers withR22(6) graph-set motifs. Additional C—H...N contacts stack the dimers along [100]. While no π—π interactions are present, weak C—H...O and O—H...Cginteractions are also observed and help stabilize the crystal packing.

scholarly journals 4-(6-Quinolyloxymethyl)benzonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1261-o1261 ◽  
Author(s):  
Min Min Zhao ◽  
Yong Hua Li ◽  
De Hong Wu ◽  
Qing Wan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Π Interactions ◽  
Compound C ◽  
Quinoline Fragment ◽  
Ether Synthesis

The title compound, C17H12N2O, was synthesized by an ether synthesis from quinolin-6-ol and 4-(bromomethyl)benzonitrile. The phenyl ring of the benzonitrile group makes a dihedral angle of 47.52 (6)° with the plane of the quinoline fragment. The crystal structure is stabilized by intermolecular C—H...π interactions between a benzene H atom of the benzonitrile group and the benzene ring of the quinoline fragment. In addition, the crystal structure also exhibits a weak intermolecular C—H...N hydrogen bond.

scholarly journals Ethyl 2-methyl-4-phenylquinoline-3-carboxylate

2009 ◽  
Vol 65 (6) ◽  
pp. o1382-o1382
Author(s):  
Ayoob Bazgir
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Quinoline Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Centrosymmetric Dimers

In the molecule of the title compound, C19H17NO2, the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intramolecular C—H...O interactions result in the formation of five- and six-membered rings having planar and envelope conformations, respectively. In the crystal structure, intermolecular C—H...O interactions link the molecules into centrosymmetric dimers formingR22(12) ring motifs. π–π contacts between the rings of the quinoline system [centroid-to-centroid distance = 3.812 (1) Å] may further stabilize the structure. Two weak C—H...π interactions are also found.

scholarly journals 3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2012 ◽  
Vol 68 (6) ◽  
pp. o1923-o1923
Author(s):  
Ju Liu ◽  
Zhi-Qiang Cai ◽  
Yang Wang ◽  
Yu-Li Sang ◽  
Li-Feng Xu
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Planar Systems

In the title compound, C25H13Cl2F4N3, there are four planar systems, viz. three benzene rings and a pyrazolo[1,5-a]pyrimidine system [r.m.s. deviation = 0.002 Å]. The dihedral angle between the dichlorophenyl ring and the unsubstituted phenyl ring is 69.95 (5)°, while that between the fluorophenyl ring and the unsubstituted phenyl ring is 7.97 (10)°. The crystal packing is dominated by van der Waals interactions. A Cl...Cl interaction of 3.475 (3) Å also occurs.

4-(Acetylaminomethyl)-1-methylpyridinium iodide

2007 ◽  
Vol 63 (11) ◽  
pp. o4278-o4278
Author(s):  
Alexandra M. Z. Slawin ◽  
William T. A. Harrison
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Acetyl Group

In the title compound, C9H13N2O+·I−, the dihedral angle between the aromatic ring and the N-acetyl group is 73.93 (8)°. In the crystal structure, the cation and anion interact by way of an N—H...I hydrogen bond.

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