scholarly journals 2-({4-[4-(1H-Benzimidazol-2-yl)phenyl]-1H-1,2,3-triazol-1-yl}methoxy)ethanol

2012 ◽  
Vol 68 (6) ◽  
pp. o1908-o1908 ◽  
Author(s):  
Abdelaaziz Ouahrouch ◽  
Moha Taourirte ◽  
Hassan B. Lazrek ◽  
Jan W. Bats ◽  
Joachim W. Engels
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Axis Direction ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C18H17N5O2, the dihedral angle between the benzene plane and the benzimidazole plane is 19.8 (1)° and the angle between the benzene plane and the triazole plane is 16.7 (1)°. In the crystal, molecules are connected by O—H...N hydrogen bonds, forming zigzag chains along the c-axis direction. The chains are connected by bifurcated N—H...(N,N) hydrogen bonds into layers parallel to (100). These layers are connected along the a-axis direction by weak C—H...O contacts, forming a three-dimensional network.

scholarly journals Crystal structure of 1,1′-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)

2015 ◽  
Vol 71 (12) ◽  
pp. o935-o936 ◽  
Author(s):  
Hazem Bouraoui ◽  
Ali Boudjada ◽  
Noudjoud Hamdouni ◽  
Youcef Mechehoud ◽  
Jean Meinnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C16H12Cl2O2Se, the C—Se—C angle is 100.05 (14)°, with the dihedral angle between the planes of the benzene rings being 69.92 (17)°. The average endocyclic angles (Se—Car—Car; ar = aromatic) facing the Se atom are 120.0 (3) and 119.4 (3)°. The Se atom is essentially coplanar with the benzene rings, with Se—Car—Car—Cartorsion angles of −179.2 (3) and −179.7 (3)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along thea-axis direction. The chains are linkedviaC—H...π interactions, 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 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 Ethyl {[5-acetyl-3-cyano-4-(4-methoxyphenyl)-6-methylpyridin-2-yl]sulfanyl}acetate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Elham A. Al-Taifi ◽  
Manpreet Kaur ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C20H20N2O4S, the dihedral angle between the benzene and pyridine rings is 60.97 (7)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals Ferrocenecarboxylic anhydride: a redetermination

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
C. John McAdam ◽  
Jim Simpson
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Acid Anhydride ◽  
Dihedral Angles ◽  
Private Communication ◽  
Torsion Angles ◽  
Dimensional Network ◽  
Title Molecule

The title molecule, [Fe2(C5H5)2(C12H8O3)], briefly reported previously [Zhang (2015). Private Communication (CCDC reference 1056736). CCDC, Cambridge, England], comprises two ferrocenyl units connected by an acid anhydride bridge. Both ferrocene units have near coplanar [dihedral angles between the ring planes = 2.84 (4) and 1.74 (13)°] and eclipsed [pseudo torsion angles = 6.3 (2) and 5.1 (2)°] cyclopentadienyl (Cp) rings. A twist through the anhydride linkage results in a dihedral angle of 73.81 (8)° between the two substituted Cp rings planes. An intramolecular C—H...O hydrogen bond is also found. In the crystal, C—H...O hydrogen bonds link the molecules into a three-dimensional network.

scholarly journals Crystal structure of 3-amino-2-propylquinazolin-4(3H)-one

2015 ◽  
Vol 71 (8) ◽  
pp. o590-o591
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Saud A. Alanazi ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C11H13N3O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, molecules related by an inversion centre are pairedviaπ–π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Å between the centroids of the aromatic rings of neighbouring molecules. Intermolecular N—H...N and N—H...O hydrogen bonds formR66(30) rings andC(5) chains, respectively, generating a three-dimensional network. Weak C—H...O interactions are also observed.

scholarly journals 3-Methyl-5,5-diphenylimidazolidine-2,4-dione

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Walid Guerrab ◽  
Rachida Akrad ◽  
Mhammed Ansar ◽  
Jamal Taoufik ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Membered Ring ◽  
Ring Plane ◽  
Axis Direction ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C16H14N2O2, the imidazolidine-2,4-dione ring carries two phenyl substituents at the 5-position inclined to the five-membered ring plane by 59.17 (6) and 53.21 (6)°. In the crystal, the molecules form chains parallel to thea-axis direction through N—H...O hydrogen bonds. These chains are linked into a three-dimensional network of molecules stacked alongathrough C—H...π(ring) interactions.

scholarly journals Crystal structure of oxadiargyl

2015 ◽  
Vol 71 (7) ◽  
pp. o494-o494 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Short Contacts

In the title compound {systematic name: 5-tert-butyl-3-[2,4-dichloro-5-(prop-2-ynyloxy)phenyl]-1,3,4-oxadiazol-2(3H)-one}, C15H14Cl2N2O3, which is an oxadiazolone herbicide, the dihedral angle between the planes of the oxadiazolone and benzene rings is 65.84 (6)°. In the crystal, weak intermolecular Cl...Cl [3.3600 (7) Å] short contacts link adjacent molecules, forming chains along theb-axis direction. These chains are linked by C—H...O, C—H...N and C—H...Cl hydrogen bonds, generating a three-dimensional network. Weak C—H...π interactions are also present.

scholarly journals Crystal structure of 1-(2-chloroacetyl)-2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one

2014 ◽  
Vol 70 (10) ◽  
pp. 262-264 ◽  
Author(s):  
S. Jothivel ◽  
Jibon Kotoky ◽  
S. Kabilan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C21H20ClF2NO2, the piperidine ring adopts a slightly distorted boat conformation. The two benzene rings form a dihedral angle of 87.43 (1)°. A weak intramolecular C—H...π interaction is observed. In the crystal, weak C—H...O hydrogen bonds and weak C—H...π interactions connect the molecules, forming a three-dimensional network.

scholarly journals (E)-N′-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate

2014 ◽  
Vol 70 (7) ◽  
pp. o793-o794 ◽  
Author(s):  
J. Josephine Novina ◽  
G. Vasuki ◽  
M. Suresh ◽  
M. Syed Ali Padusha
Keyword(s):  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Axis Direction ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network

In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide molecule adopts atransconformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°. In the crystal, the solvent water molecule acts as an acceptor, forming an N—H...O hydrogen bond supported by two C—H...O contacts. It also acts as a donor, forming bifurcated O—H...(O,O) and O—H...N hydrogen bonds that combine with the former contacts to form zigzag chains of molecules along thec-axis direction. An additional O—H...O donor contact completes a set of six hydrogen bonds to and from the water molecule and connects it to a third nicotinohydrazide molecule. This latter contact combines with weaker C—H...O hydrogen bonds supported by a C—H...π contact to stack molecules alongbin a three-dimensional network.

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