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).

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 Crystal structure of 4-azidomethyl-6-isopropyl-2H-chromen-2-one

2015 ◽  
Vol 71 (4) ◽  
pp. o227-o228 ◽  
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum ◽  
D. Shamala ◽  
K. Shivashankar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C13H13N3O2, the benzopyran ring system is essentially planar, with a maximum deviation of 0.017 (1) Å. In the crystal, weak C—H...O hydrogen bonds link molecules into ladders along [010]. In addition, π–π interactions between inversion-related molecules, with centroid–centroid distances in the range 3.679 (2)–3.876 (2) Å, complete a two-dimensional network parallel to (001).

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 Aqua(propanedioato-κ2O1,O3)[2-(1H-pyrazol-1-yl-κN2)-1,10-phenanthroline-κ2N,N′]nickel(II) trihydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m647-m647 ◽  
Author(s):  
Huai Yi Yan ◽  
Tai Qiu Hu ◽  
Jing Min Shi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Mononuclear Complex ◽  
Metal Center ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

In the title mononuclear complex, [Ni(C3H2O4)(C15H10N4)(H2O)]·3H2O, the metal center is coordinated in a distorted NiN3O3geometry. In the crystal structure, intermolecular O—H...O hydrogen bonds link the components into a two-dimensional network. In addition, there are weak π–π stacking interactions between symmetry-related phenanthroline rings, with a centroid–centroid distance of 3.6253 (17) Å.

scholarly journals Crystal structure of 4-amino-5-chloro-2,6-dimethylpyrimidinium thiophene-2,5-dicarboxylate

2016 ◽  
Vol 72 (7) ◽  
pp. 1043-1046 ◽  
Author(s):  
Ammaiyappan Rajam ◽  
Packianathan Thomas Muthiah ◽  
Ray J. Butcher ◽  
Matthias Zeller
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Double Layers ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

In the title salt, C6H9ClN3+·C6H3O4S−, the cations and anions are linkedviaO—H...O and N—H...O hydrogen bonds, formingR66(37) ring motifs that are interconnected with each other, producing sheets. Separate parallel inversion-related sheets are linked through N—H...N and π–π stacking interactions [centroid–centroid distance = 3.5414 (13) Å], forming double layers parallel to (101). Weak C—H...O and C—H...S hydrogen bonds, as well as C—H...π interactions, connect the double layers into a three-dimensional network.

scholarly journals 1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1939-o1939
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
Chetan S. Shripanavar ◽  
Kaushik Banerjee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Pyridine Ring ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Centroid Distance ◽  
Title Molecule ◽  
Imidazoline Ring

In the title molecule, C9H10ClN3O, the dihedral angle between the pyridine ring and imidazoline ring mean plane [maximum deviation = 0.031–(3) Å] is 76.2 (1)°. In the crystal, N—H...O hydrogen bonds link pairs of molecules to form inversion dimers. In addition, weak C—H...N hydrogen bonds and π–π stacking interactions between pyridine rings [centroid–centroid distance = 3.977 (2) Å] are observed.

scholarly journals Crystal structure of 5,5′-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione]

2014 ◽  
Vol 70 (10) ◽  
pp. o1098-o1099 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean ◽  
Title Molecule

In the title molecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N—H...O hydrogen bonds link molecules, forming a two-dimensional network parallel to (001) and in combination with weak C—H...O hydrogen bonds, a three-dimensional network is formed. Weak C—H...π interactions and π–π interactions, with a centroid–centroid distance of 3.599 (2) Å are also observed.

scholarly journals Bis(thiocyanato-κN)[tris(pyridin-2-ylmethyl)amine-κ4N]iron(II)

2014 ◽  
Vol 70 (2) ◽  
pp. m35-m35
Author(s):  
Jing-Wei Dai ◽  
Zhao-Yang Li ◽  
Osamu Sato
Keyword(s):  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Stacking Interactions ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Π Stacking ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Amine Ligand

In the title complex, [Fe(NCS)2(C18H18N4)], the FeIIcation is chelated by a tris(2-pyridylmethyl)amine ligand and coordinated by two thiocyanate anions in a distorted N6octahedral geometry. In the crystal, weak C—H...S hydrogen bonds and π–π stacking interactions between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.653 (3) Å] link the molecules into a two-dimensional supramolecular architecture. The structure contains voids of 124 (9) Å3, which are free of solvent molecules.

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 Crystal structure of 6-bromo-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde

2015 ◽  
Vol 71 (7) ◽  
pp. 857-860 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Weak Interactions ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C10H4BrFO3, a brominated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. deviation of 0.025 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.050 (6) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.912 (4) Å], C—H...O hydrogen bonds and short C...O contacts [2.865 (7) Å]. Unsymmetrical halogen...halogen interactions between the bromine and fluorine atoms [Br...F = 3.116 (4) Å, C—Br...F = 151.8 (2), C—F...Br = 154.1 (4)°] are also formed, giving a meandering two-dimensional network propagating in the (041) plane. A comparison with related structures is made and the various types of weak interactions are ranked in importance.

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