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 1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-4-nitro-1H-imidazole

2014 ◽  
Vol 70 (9) ◽  
pp. o962-o963 ◽  
Author(s):  
Hayette Alliouche ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Stacking Interaction ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Π Stacking Interaction ◽  
Title Molecule

In the title molecule, C13H13N3O2, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, molecules are linked by weak C—H...N and C—H...O hydrogen bonds, forming layers parallel to (100). A weak C—H...π interaction connects these layers into a three-dimensional network. A π–π stacking interaction, with a centroid–centroid distance of 3.5373 (9) Å, is also observed.

scholarly journals 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
P. Sivakumar ◽  
G. Ezhamani ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

In the title hydrated molecular salt, C6H9N2+·C8H7O3−·2H2O, the cation is protonated at the pyridine N atom. The cation and anion are linked by a pair of N—H...O hydrogen bonds, which generates anR22(8) loop, and the dihedral angle between their ring planes is 16.07 (14)°. The ion pairs are linked by O—H...O hydrogen bonds involving the water molecules, generating a three-dimensional network. Weak C—H...O and aromatic π–π stacking [centroid-to-centroid distance = 3.5874 (17) Å] interactions are also observed.

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 tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxylate

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Aravazhi Amalan Thiruvalluvar ◽  
Raviraj Kusanur ◽  
Makuteswaran Sridharan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C12H14BrN3O2, the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H...N hydrogen bonds generate R 2 2(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking interactions [centroid–centroid separation = 3.7394 (6) Å] and C—H...O and C—H...Br hydrogen bonds.

scholarly journals 1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2562-o2562 ◽  
Author(s):  
Sammer Yousuf ◽  
Sarosh Iqbal ◽  
Nida Ambreen ◽  
Khalid M. Khan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C15H14O4S, the dihedral angle between the benzene and phenyl rings is 88.74 (10)°. In the crystal, molecules are linked into a three-dimensional network by C—H...O hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.6092 (13)–3.8651 (13) Å].

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.

scholarly journals 1-(6-Nitro-1H-indazol-1-yl)ethanone

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Mohamed Mokhtar Mohamed Abdelahi ◽  
Youness El Bakri ◽  
Meryeme El Karkour ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Dimensional Network ◽  
Two Component ◽  
The Mean ◽  
Title Molecule

In the title molecule, C9H7N3O3, the indazole moiety is essentially planar and the mean plane of the acetyl substituent is twisted by 5.3 (1)° from its plane. In the crystal, weak C—H...O and C—H...N hydrogen bonds form layers parallel to (102), which are associated through π-stacking interactions to form a three-dimensional network. The structure was refined as a two-component twin.

scholarly journals 5-[(2-Methyl-4-nitro-1H-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine

2013 ◽  
Vol 69 (12) ◽  
pp. o1825-o1825
Author(s):  
M. K. Usha ◽  
S. Madan Kumar ◽  
H. S. Vidyashree Jois ◽  
B. Kalluraya ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C7H8N6O2S, the dihedral angle between the imidazole and thiadiazole rings is 70.86 (15)°. In the crystal, molecules are linked into [10-1] chains by N—H...N hydrogen bonds, which incorporate centrosymmetricR22(8) andR22(18) loops. The chains are linked by C—H...O and C—H...N interactions, generating a three-dimensional network. Very weak π–π stacking [centroid–centroid distance = 3.901 (17) Å] is also observed.

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.

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