scholarly journals 3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o924-o925 ◽  
Author(s):  
Rosenani A. Haque ◽  
Muhammad Adnan Iqbal ◽  
Hoong-Kun Fun ◽  
Suhana Arshad
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angles ◽  
Side Chains ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the title hydrated molecular salt, C38H52N42+·2Br−·H2O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O—H...Br, C—H...Br and C—H...O hydrogen bonds into a two-dimensional network lying parallel to theacplane. Aromatic π–π stacking interactions are also observed [shortest centroid-to-centroid separation = 3.5047 (16) Å].

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 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 Bis(creatininium) 3-nitrophthalate monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
V. Thayanithi ◽  
P. Praveen Kumar ◽  
B. Gunasekaran
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Molecular Salt

In the title hydrated molecular salt, 2C4H8N3O+·C8H3NO62−·H2O, the dihedral angles between the benzene ring and the nitro group and the carboxylate groups are 48.0 (2), 55.3 (2) and 60.7 (2)°, respectively. In the crystal, the components are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, generating a two-dimensional network parallel to (102).

scholarly journals (E)-3-[4-(Benzo[d]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Ying Xia ◽  
Haiyan Wang ◽  
Jianhua Yu ◽  
Zhichao Wu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Π Stacking ◽  
Molecular Salt

In the title molecular salt, C21H17N2O+·CF3CO2−, the dihedral angles between the benzene ring and pendant pyridyl and benzoxazole substituents of the cation are 15.35 (10) and 2.55 (9)°, respectively. In the crystal, the components are linked by weak C—H...O hydrogen bonds, C—F...π interactions and aromatic π–π stacking interactions. The F atoms of the anion are disordered over two set of sites in a 0.536 (6):0.464 (6) ratio.

scholarly journals (E)-4-[7-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzothiadiazol-4-yl]-2-[(neopentylimino)methyl]phenol

2014 ◽  
Vol 70 (8) ◽  
pp. o848-o849
Author(s):  
Lauren A. Mitchell ◽  
Jordan A. Dinser ◽  
Bradley J. Holliday
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Title Molecule

In the title molecule, C24H23N3O3S2, the benzothiadiazole ring system is essentially planar, with an r.m.s. deviation of 0.020 (8) Å. The thiophene and hydroxy-substitiuted rings form dihedral angles of 23.43 (9) and 35.45 (9)°, respectively, with the benzothiadiazole ring system. An intramolecular O—H...N hydrogen bond is observed. In the crystal, weak C—H...O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.880 (3) Å] link molecules into chains along [100]. In addition, there are short S...S contacts [3.532 (3) Å] which link these chains, forming a two-dimensional network parallel to (010).

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 (E)-3,4,5-Trimethoxy-N′-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate

2014 ◽  
Vol 70 (8) ◽  
pp. o832-o832 ◽  
Author(s):  
Yoshinobu Ishikawa ◽  
Kohzoh Watanabe
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Benzene Ring ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Dimensional Network ◽  
The Mean

In the title chromone-tethered benzohydrazide derivative, C21H20N2O7·H2O, the atoms of the 4H-chromen-4-one segment are essentially coplanar (r.m.s. deviation = 0.0073 Å) with the largest deviation from the mean plane [0.012 (3) Å] being found for the benzene C atom. The dihedral angles between the chromone segment and the hydrazide plane and between the chromone segment and the benzene ring of the trimethoxybenzene unit are 24.67 (9) and 41.28 (8) Å, respectively. The molecule is connected to the solvent water molecule by O—H...O hydrogen bonds and weak C—H...O interactions. Additional N—H...O interactions are observed and together they link the molecules into chains forming a two-dimensional network along (011).

scholarly journals 2,3-Dimethylquinazolin-4(3H)-one

2014 ◽  
Vol 70 (7) ◽  
pp. o788-o788
Author(s):  
Fozil E. Saitkulov ◽  
Azamat A. Tashniyazov ◽  
Azimjon A. Mamadrahimov ◽  
Kh. M. Shakhidoyatov
Keyword(s):  
Hydrogen Bonds ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Interactions ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Title Molecule

The non-H atoms of the title molecule, C10H10N2O, are essentially coplanar, with a maximum deviation of 0.046 (4) Å for the O atom. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along [010]. In addtion, weak C—H...π interactions and π–π stacking interactions between benzene and pyrimidine rings, with a centroid–centroid distance of 3.730 (3) Å, link the chains, forming a two-dimensional network parallel to (001).

Bis{4-[(4-pyridyl)ethenyl]pyridinium} 4-sulfonatobenzoate trihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1529-o1531 ◽  
Author(s):  
Li-Ping Zhang ◽  
Long-Guan Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
One Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Hydrogen Bonded

In the crystal structure of the title organic proton-transfer complex, 2C12H11N2 +·C7H4O5S2−·3H2O, the cations form one-dimensional chains via intermolecular N—H...N hydrogen bonds and these chains, in turn, form a two-dimensional network through π–π stacking interactions. In addition, the anions and water molecules are connected into a two-dimensional hydrogen-bonded network through intermolecular O—H...O hydrogen bonds. The two motifs result in sheets of cations and anions stacked alternately.

scholarly journals 2-Amino-4-methylpyridinium 4-methylbenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
C. Anzline ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Carboxylate Group ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, C6H9N2+·C8H7O2−, the cation is protonated at its pyridine N atom and the dihedral angle between the carboxylate group and its attached benzene ring in the anion is 8.54 (17)°. In the crystal, N—H...O hydrogen bonds link the components into [001] chains. Weak C—H...O and aromatic π–π stacking [centroid–centroid separation = 3.8503 (18) Å] link the chains into a three-dimensional network.

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