scholarly journals 3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole

IUCrData ◽  
2018 ◽  
Vol 3 (4) ◽  
Author(s):  
Hui Zhao
Keyword(s):  
Hydrogen Bonds ◽  
Layer Structure ◽  
Three Dimensional ◽  
Unit Cell ◽  
Mirror Plane ◽  
Orthorhombic Unit Cell ◽  
Π Interactions ◽  
Dimensional Network ◽  
Title Molecule

The title molecule, C11H6F5NO, lies on a mirror plane in the orthorhombic unit cell, with only two F atoms each of the difluoro and trifluoromethyl substituents lying out of the plane. In the crystal, molecules are linked by C—H...O, C—H...N and C—H...F hydrogen bonds, forming a layer structure parallel to the (001) plane. Weak π–π interactions promote the formation of a three-dimensional network.

4-Amino-5-(4-chlorophenoxymethyl)-2-(2-cyanoethyl)-2H-1,2,4-triazole-3(4H)-thione monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1928-o1929
Author(s):  
Ting He ◽  
Yi-Zhi Li ◽  
Hong-Wen Hu
Keyword(s):  
Hydrogen Bonds ◽  
Normal Values ◽  
Three Dimensional ◽  
Bond Lengths ◽  
Π Interactions ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C12H12ClN5OS·H2O, all the bond lengths and angles have normal values. O—H...O, O—H...N, N—H...S, C—H...O and C—H...N hydrogen bonds, with C—H...π interactions, link the molecules into 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 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 4-Methoxybenzylammonium nitrate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
P. Umarani ◽  
A. Thiruvalluvar ◽  
C. Ramachandra Raja
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
General Position ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Nitrate Anion ◽  
Π Interactions ◽  
Dimensional Network

In the title salt, C8H12NO+·NO3−, the 4-methoxybenzylammonium cation lies in the mirror planemof space groupPnmaand is thus planar by symmetry. The nitrate anion is also planar by symmetry, with an N...;O group in the mirror plane and one O atom in a general position. The dihedral angle between the benzene ring and the planar nitrate anion is constrained to be exactly 90°, because of the relative special positions for both ions. In the crystal, the cations are connected to the anions by C—H...O, C—H...N, N—H...N and N—H...O hydrogen bonds. Further, the crystal structure also features two C—H...π interactions involving the benzene ring of the cation, forming a three-dimensional network.

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 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 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 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 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 N-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1921-o1921 ◽  
Author(s):  
Farhana Aman ◽  
Waseeq Ahmad Siddiqui ◽  
Adnan Ashraf ◽  
Hamid Latif Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Aromatic Rings ◽  
Dimensional Network ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C17H16N2O4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The molecular structure is stabilized by an intramolecular O—H...O hydrogen bond. The two aromatic rings are inclined to one another by 42.32 (11)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers. The dimers are linked via a series of C—H...O interactions, leading to the formation of a three-dimensional network.

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