scholarly journals (E)-N′-(5-Bromo-2-hydroxybenzylidene)-2-(4-isobutylphenyl)propanohydrazide

2012 ◽  
Vol 68 (8) ◽  
pp. o2364-o2365
Author(s):  
Shaaban K. Mohamed ◽  
Peter N. Horton ◽  
Mehmet Akkurt ◽  
Mustafa R. Albayati ◽  
Antar A. Abdelhamid
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Similar Conformation

The title compound, C20H23BrN2O2, containing an ibuprofen core, crystallizes with three independent molecules of similar conformation in the asymmetric unit. In these three molecules, the two benzene rings make dihedral angles of 82.7 (2), 71.2 (2) and 78.0 (3)° with respect to each other. The atoms of the isobutyl groups in two of the molecules are disordered over two positions, with site-occupancy ratios of 0.516 (8):0.484 (8) and 0.580 (8):0.420 (8). In the crystal, molecules are linked by N—H...O, C—H...O and O—H...N hydrogen bonds. Furthermore, C—H...π interactions are also observed.

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (8) ◽  
pp. o881-o882
Author(s):  
Cai-Xia Yuan ◽  
Shu-Fen Lan ◽  
Xin-Yu Liu ◽  
Miao-Li Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C11H11BrN4OS, crystallized as a racemic twin with two symmetry-independent molecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent molecules are 56.41 (18) and 54.48 (18)°. An intramolecular O—H...N hydrogen bond occurs in each molecule. In the crystal, pairs of symmetry-independent molecules are linked by pairs of almost linear N—H...S hydrogen bonds, forming cyclic dimers characterized by anR22(8) motif. There are weak π–π interactions between the benzene rings of symmetry-independent molecules, with a centroid–centroid distance of 3.874 (3) Å.

scholarly journals 2-Chloro-8,8-dimethyl-8,9-dihydro-7H-chromeno[2,3-b]quinoline-10,12-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o253-o253
Author(s):  
Thothadri Srinivasan ◽  
Panneerselvam Yuvaraj ◽  
Boreddy S. R. Reddy ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H14ClNO3, contains two independent molecules (AandB). In both molecules, the cyclohexanone ring has a chair conformation. The dihedral angles between the pyran ring and the pyridine and chlorophenyl rings are 2.13 (9) and 2.19 (9)°, respectively, inA, and 0.82 (9) and 1.93 (9)°, respectively, inB. The carbonyl O atoms deviate from the pyran and benzene rings to which they are attached by −0.092 (2) and 0.064 (2) Å, respectively, inA, and by −0.080 (2) and −0.063 (2) Å, respectively, inB. In the crystal, theAmolecules are linkedviaC—H...O hydrogen bonds, forming double-stranded chains along [100]. They lie parallel to the double-stranded chains formed by theBmolecules, which are also linkedviaC—H...O hydrogen bonds. The chains stack up thecaxis in an –A–A–B–B–A–A– manner, with a number of π–π interactions involvingAandBmolecules; the centroid–centroid distances vary from 3.4862 (11) to 3.6848 (11) Å

scholarly journals (10-Ethyl-10H-phenothiazine-3,7-diyl)bis(p-tolylmethanone)

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Karunakaran Hemanathan ◽  
Mahalingam Ravivarma ◽  
Chinnadurai Satheeshkumar ◽  
Perumal Rajakumar ◽  
K. Sakthi Murugesan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C30H25NO2S, crystallizes with two independent molecules (AandB) having similar conformations in the asymmetric unit. Both phenothiazine units have a butterfly structure; the dihedral angles between the planes of the benzene rings are 17.95 (13) and 12.65 (14)° for moleculesAandB, respectively. In the crystal, theBmolecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif. TheAmolecules are linked by C—H...π interactions. Layers ofAmolecules and layers ofBmolecules are linked by a second C—H...π interaction, formingA–B–B–Aslabs, which stack back-to-back and lie parallel to thebcplane.

scholarly journals N-[4-(4-Nitrophenoxy)phenyl]acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2485-o2485 ◽  
Author(s):  
Asifa Nigar ◽  
Zareen Akhter ◽  
M. Nawaz Tahir
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The asymmetric unit of the title compound, C14H12N2O4, contains two molecules that differ principally in the orientation of the acetamide substituent to the adjacent benzene ring with dihedral angles of 44.77 (7) and 19.06 (7)°. The dihedral angles between the benzene rings are 64.46 (4) and 80.84 (4)°. In the crystal, classical N—H...O hydrogen bonds formC(4) chains along [100]. These chains are interlinked by C—H...O contacts formingR22(10) rings. In the crystal, π–π interactions are observed with a distance of 3.5976 (18) Å between the centroids of the nitro-substituted benzene rings of one type of molecule.

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 Crystal structure of 1,4-diethoxy-9,10-anthraquinone

2015 ◽  
Vol 71 (7) ◽  
pp. o504-o505 ◽  
Author(s):  
Chitoshi Kitamura ◽  
Sining Li ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Katsuhiko Ono ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Interplanar Distance ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H16O4, contains two crystallographically independent molecules. The anthraquinone ring systems are slightly bent with dihedral angles of 2.33 (8) and 13.31 (9)° between the two terminal benzene rings. In the crystal, the two independent molecules adopt slipped-parallel π-overlap with an average interplanar distance of 3.45 Å, forming a dimer; the centroid–centroid distances of the π–π interactions are 3.6659 (15)–3.8987 (15) Å. The molecules are also linked by C—H...O interactions, forming a tape structure along thea-axis direction. The crystal packing is characterized by a dimer-herringbone pattern.

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.

scholarly journals 4-Chloro-N′-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1209-o1209
Author(s):  
Wei-Guang Zhang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H9Br2ClN2O2, contains two independent molecules. Both molecules adopt anEconfiguration about the C=N bond. The dihedral angles between the benzene rings are 30.0 (2) and 51.6 (2)° in the two molecules. In the crystal, molecules are linked through N—H...O hydrogen bonds, forming chains along thebaxis. In addition, there is an intramolecular O—H...N hydrogen bond in each molecule.

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 (E)-2-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]benzonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1416-o1416 ◽  
Author(s):  
Jian-Cheng Zhou ◽  
Nai-Xu Li ◽  
Chuan-Ming Zhang ◽  
Zheng-Yun Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Tert Butyl ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H26N2O, contains three crystallographically independent molecules, in which the aromatic rings are oriented at dihedral angles of 21.74 (5), 27.59 (5) and 27.87 (5)°. Intramolecular O—H...N hydrogen bonds result in the formation of planar six-membered rings, and these are nearly coplanar with the adjacent rings. In the crystal structure, π–π contacts between the benzene rings [centroid–centroid distances = 3.989 (2), 3.802 (1) and 3.882 (1) Å] may stabilize the structure.

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