scholarly journals (E)-4-Methyl-N′-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide

2014 ◽  
Vol 70 (5) ◽  
pp. o565-o565 ◽  
Author(s):  
Yoshinobu Ishikawa ◽  
Kohzoh Watanabe
Keyword(s):  
Benzene Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
One Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Group Centroid ◽  
Centrosymmetric Dimers

In the title chromone-tethered benzohydrazide derivative, C18H14N2O3, the 4H-chromen-4-one and the –CH=N–NH–CO– units are each essentially planar, with the largest deviations from thei planes being 0.052 (2) and 0.003 (2) Å, respectively. The dihedral angles between the 4H-chromen-4-one and the –CH=N–NH–CO– units, the 4H-chromen-4-one unit and the benzene ring of the 4-tolyl group, and the benzene ring of the 4-tolyl group and the –CH=N–NH–CO– unit are 8.09 (7), 9.94 (5) and 17.97 (8)°, respectively. In the crystal, the molecules form two types of centrosymmetric dimers: one by N—H...O hydrogen bonds and the other by π–π stacking interactions between the 4H-chromen-4-one unit and the 4-tolyl group [centroid–centroid distance = 3.641 (5) Å]. These dimers form one-dimensional assemblies extending along thea-axis direction. Additional π–π stacking interactions between two 4H-chromen-4-one units [centroid–centroid distance = 3.591 (5) Å] and two 4-tolyl groups [centroid–centroid distance = 3.792 (5) Å] organize the molecules into a three-dimensional network.

scholarly journals 3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Ganesan Suresh ◽  
Sarangapani Muniraj
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C16H13ClN2S, the pyrazole ring is almost planar with an r.m.s. deviation of 0.0457 Å which forms dihedral angles of 2.875 (4) and 84.83 (7)° with the chloro-substituted benzene ring and the methylsulfanyl-substituted ring, respectively. In the crystal, N—H...N and C—H...Cl hydrogen bonds contribute to the formation of a three-dimensional network. In addition, several offset π–π stacking interactions are also present.

scholarly journals Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o270-o271 ◽  
Author(s):  
J. Mohana ◽  
M. Divya Bharathi ◽  
G. Ahila ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carboxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H...N and C—H...O interactions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

scholarly journals 6,8-Diiodo-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o536-o536
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Halogen Bonds ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

The title compound, C10H4I2O3, is an iodinated 3-formylchromone derivative, and the atoms are essentially coplanar [r.m.s. deviation = 0.049 Å, largest deviation from the least-squares plane = 0.111 (9) Å for the CH(=O) C atom]. In the crystal, molecules are linked into a three-dimensional network through halogen bonds [I...O = 3.352 (5) and 3.405 (7) Å, C—I...O = 144.2 (3) and 154.5 (3)°, and C=O...I = 134.9 (6) and 146.0 (6)°], and π–π stacking interactions [centroid–centroid distance = 3.527 (6) Å].

scholarly journals N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide

2014 ◽  
Vol 70 (4) ◽  
pp. o445-o445
Author(s):  
Venkatesh B. Devaru ◽  
K. S. Katagi ◽  
O. Kotresh ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two molecules (AandB), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal,A–Bdimers are linked by pairs of N—H...N hydrogen bonds, which generateR22(10) loops. The dimers are linked by C—H...O and C—H...Cl interactions, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.5211 (12) Å] are also observed.

scholarly journals Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate

2018 ◽  
Vol 74 (7) ◽  
pp. 1021-1025
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Flavien A. A. Toze ◽  
Fatali E. Huseynov ◽  
Sarvinaz F. Hajiyeva
Keyword(s):  
Benzene Ring ◽  
Surface Analysis ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Face To Face ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Group Centroid

In the anion of the title hydrated salt, C2H10N2 2+·C21H13N3O8S2−·2H2O, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.70 (12)°. In the crystal, the anions are linked to the cations and the water molecules by N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face π–π stacking interactions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxidobenzenesulfonate group [centroid–centroid distance = 3.8382 (13) Å and slippage = 1.841 Å]. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions.

scholarly journals Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles

2014 ◽  
Vol 70 (9) ◽  
pp. 920-926 ◽  
Author(s):  
Aletti S. Praveen ◽  
Hemmige S. Yathirajan ◽  
Manpreet Kaur ◽  
Badiadka Narayana ◽  
Eric C. Hosten ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Reaction Times ◽  
Supramolecular Assembly ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Aryl Group ◽  
Π Stacking ◽  
Related Compounds ◽  
Centrosymmetric Dimers

Four imidazo[2,1-b][1,3,4]thiadiazoles containing a simply-substituted 6-aryl group have been synthesized by reaction of 2-amino-1,3,4-thiadiazoles with bromoacetylarenes using microwave irradiation and brief reaction times. 6-(2-Chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole, C10H6ClN3S, (I), 6-(2-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole, C11H8ClN3S, (II), 6-(3,4-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole, C10H5Cl2N3S, (III), and 6-(4-fluoro-3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole, C12H10FN3OS, (IV), crystallize withZ′ values of 2, 1, 1 and 2 respectively. The molecular skeletons are all nearly planar and the dihedral angles between the imidazole and aryl rings are 1.51 (8) and 7.28 (8)° in (I), 9.65 (7)° in (II), 10.44 (8)° in (III), and 1.05 (8) and 7.21 (8)° in (IV). The molecules in (I) are linked by three independent C—H...N hydrogen bonds to form ribbons containing alternatingR22(8) andR44(18) rings, and these ribbons are linked into a three-dimensional array by three independent π-stacking interactions. Both (II) and (III) contain centrosymmetric dimers formed by π-stacking interactions but hydrogen bonds are absent, and the molecules of (IV) are linked into centrosymmetricR22(8) dimers by C—H...N hydrogen bonds. Comparisons are made with a number of related compounds.

scholarly journals N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-propionylpropionamide

2014 ◽  
Vol 70 (2) ◽  
pp. o102-o102
Author(s):  
Nabil Idris ◽  
Ray J. Butcher ◽  
Oladapo Bakare
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Carbonyl Groups ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Title Molecule ◽  
Imide Group

In the title molecule, C16H14ClNO4, the four essentially planar atoms of the imide group [r.m.s. deviation = 0.0286 (11) Å] form a dihedral angle of 77.36 (13)° with the naphthoquinone group [maximun deviation = 0.111 (2) Å for the carbonyl O atom in the naphthalene 1-position] and the two imide carbonyl groups are orientedantiwith respect to each other. In the crystal, molecules are connected by weak C—H...O hydrogen bonds, as well as π–π stacking interactions [centroid–centroid distance = 3.888 (3) Å], forming a three-dimensional network.

scholarly journals Crystal structure of phenylN-(3,5-dimethylphenyl)carbamate

2017 ◽  
Vol 73 (6) ◽  
pp. 849-852
Author(s):  
Y. AaminaNaaz ◽  
Subramaniyan Sathiyaraj ◽  
Sundararaj Kalaimani ◽  
A. Sultan Nasar ◽  
A. SubbiahPandi
Keyword(s):  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Carbamate Group ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H15NO2, contains two independent molecules (AandB). The dimethylphenyl ring, the phenyl ring and the central carbamate N—C(=O)—O group are not coplanar. In moleculeA, the dimethylphenyl and phenyl rings are inclined to the carbamate group mean plane by 27.71 (13) and 71.70 (4)°, respectively, and to one another by 84.53 (13)°. The corresponding dihedral angles in moleculeBare 34.33 (11), 66.32 (13) and 85.48 (12)°, respectively. In the crystal, theAandBmolecules are arranged alternately linked throughN—H...O(carbonyl) hydrogen bonds, forming –A–B–A–B– chains, which extend along [100]. Within the chains and linking neighbouring chains there are C—H...π interactions present, forming columns along thea-axis direction. The columns are linked by offset π–π stacking interactions, forming a three-dimensional network [shortest centroid–centroid distance = 3.606 (1) Å].

2-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate

2006 ◽  
Vol 62 (7) ◽  
pp. o2725-o2727 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Pinanong Rodwatcharapiban ◽  
Boonwasana Jindawong ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound C19H18NO+·C6H4BrSO3 −, the cation is almost planar. The benzene ring of the anion makes dihedral angles of 84.23 (12) and 84.59 (15)°, respectively, with the quinolinium group and the benzene ring of the cation. The cations and anions are arranged in an alternating one-dimensional chain along the b axis, and these chains are interconnected through C—H...O and C—H...Br interactions to form a three-dimensional network. C—H...π interactions are also observed in the crystal structure.

scholarly journals catena-Poly[[(nitrato-κ2O,O′)silver(I)]-μ3-4-pyridone-κ3O:O:O]

2009 ◽  
Vol 65 (6) ◽  
pp. m685-m686
Author(s):  
Xian-Ge Wu ◽  
Jun-Xia Xiao ◽  
Liang Qin
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Infinite Chain ◽  
Nitrate Anion ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

In the title complex, [Ag(NO3)(C5H5NO)]n, the AgIatom is coordinated by two O atoms from two different 4-pyridone ligands and two O atoms from one nitrate anion, displaying a nearly planar coordination geometry. The O atoms of two 4-pyridone ligands bridge two symmetrically related AgNO3units, forming a dimer, with an Ag...Ag separation of 3.680 (2) Å. Neighbouring dimers are linked into an infinite chain through weak Ag...O interactions [2.765 (2) Å], Ag...Ag interactions [3.1511 (4) Å] and π–π stacking interactions [centroid–centroid distance = 3.623 (4) Å]. N—H...O and C—H...O hydrogen bonds assemble these chains into a three-dimensional network.

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