scholarly journals Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

2012 ◽  
Vol 68 (8) ◽  
pp. o2513-o2513 ◽  
Author(s):  
Ling Yin ◽  
Yi Wang ◽  
Ying-Ying Wang ◽  
Jian-Wu Wang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H17BrN2O3, the dihedral angle between the benzene and pyrazole rings is 5.63 (2)°. The crystal packing is stabilized by weak π–π stacking interactions [centroid–centroid distance = 3.927 (5) Å] and intermolecular C—H...O and C—H...Br hydrogen bonds.

scholarly journals 1-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

2014 ◽  
Vol 70 (4) ◽  
pp. o499-o499
Author(s):  
Pramod P. Kattimani ◽  
Ravindra R. Kamble ◽  
Mahadev N. Kumbar ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intramolecular C—H...O interaction closes anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generateR22(8) loops and C—H...O interactions link the dimers into [100] chains. Weak π–π stacking interactions [centroid–centroid distance = 3.644 (1) Å] are also observed.

scholarly journals 6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2481-o2481
Author(s):  
Jinpeng Zhang ◽  
Yinan Wang ◽  
Qian Wang ◽  
Lichun Xu
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Stacking Interactions ◽  
Pyrazine Ring ◽  
Compound C ◽  
Π Stacking ◽  
Quinoxaline Ring

In the title compound, C15H8Cl4N2O, the quinoxaline ring system is almost planar, with a dihedral angle between the benzene and pyrazine rings of 3.1 (2)°. The 2,4-dichlorophenyl ring is approximately perpendicular to the pyrazine ring, with a dihedral angle of 86.47 (13)° between them. The crystal packing features intermolecular N—H...O hydrogen bonds and π–π stacking interactions, with centroid–centroid distances in the range 3.699 (3)–4.054 (3) Å.

scholarly journals 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate

2014 ◽  
Vol 70 (3) ◽  
pp. o294-o294 ◽  
Author(s):  
Hafiz Abdullah Shahid ◽  
Ejaz Hussain ◽  
Sajid Jahangir ◽  
Sammer Yousuf
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acetate Group ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C9H13N3O4, an ester of the anti-infection drug secnidazole, the dihedral angle between the nitroimidazole mean plane (r.m.s. deviation = 0.028 Å) and the pendant acetate group is 43.17 (11)°. In the crystal, inversion dimers linked by pairs of C—H...O interactions generateR22(10) loops and further C—H...O hydrogen bonds link the dimers into [100] chains. Weak aromatic π–π stacking interactions with a centroid–centroid distance of 3.7623 (11) Å are also observed.

scholarly journals A new polymorph of 5,5′-(ethane-1,2-diyl)bis(1H-tetrazole)

2012 ◽  
Vol 68 (4) ◽  
pp. o989-o989 ◽  
Author(s):  
Cheng-Fang Qiao ◽  
Chun-Sheng Zhou ◽  
Qing Wei ◽  
Zheng-Qiang Xia
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The asymmetric unit of the title compound, C4H6N8, contains a quarter of the molecule, which possesses a crystallographically imposed centre of symmetry with all non-H atoms situated on a mirror plane. The crystal packing exhibits intermolecular N—H...N hydrogen bonds and π–π stacking interactions between the tetrazole rings of adjacent molecules [centroid–centroid distance = 3.4402 (10) Å].

scholarly journals N′-[(1E)-2,5-Dimethoxybenzylidene]pyridine-2-carbohydrazide

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Mustafa R.Albayati ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Sahar M. I. Elgarhy
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Amide Hydrogen ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings

The molecule of the title compound, C15H15N3O3, is twisted, with the dihedral angle between the pyridyl and benzene rings being 58.34 (6)°. In the crystal, amide-N—H...O(amide) and imine-C—H...O(amide) hydrogen bonds lead to zigzag (glide symmetry) chains extending along the c axis which are joined into layers parallel to the [100] direction by offset π–π stacking interactions between inversion-related benzene rings [centroid–centroid distance = 3.7468 (7) Å] and by C—H...π(pyridyl) interactions. Pyridyl rings protrude from the surfaces of the layers and partially intercalate with those of adjacent layers.

scholarly journals 1-Benzyl-1H-benzotriazole

2012 ◽  
Vol 68 (4) ◽  
pp. o1132-o1132 ◽  
Author(s):  
P. Selvarathy Grace ◽  
Samuel Robinson Jebas ◽  
B. Ravindran Durai Nayagam ◽  
Dieter Schollmeyer
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C13H11N3, the benzotriazole ring system is essentially planar, with a maximum deviation of 0.0173 (18) Å, and forms a dihedral angle of 75.08 (8)Å with the phenyl ring. In the crystal, pairs of weak C—H...N hydrogen bonds form inversion dimers. In addition, there are weak C—H...π(arene) interactions and weak π–π stacking interactions, with a centroid–centroid distance of 3.673 (11) Å.

scholarly journals Methyl N-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2H-chromen-7-yl}carbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1734-o1734
Author(s):  
K. Mahesh Kumar ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh ◽  
S Jeyaseelan ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C19H17NO6, the dihedral angle between the 2H-chromene ring system and benzene ring is 5.34 (6)°. A short intramolecular C—H...O contact occurs. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating C(8) chains propagating in [010]. The chains are linked by C—H...O interactions and the packing also exhibits π–π stacking interactions between benzene and pyran rings, with a centroid–centroid distance of 3.676 (9) Å.

scholarly journals 4-(4-Chlorophenyl)-1,2,3-selenadiazole

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
K. Ravichandran ◽  
S. Ranjith ◽  
S. Sankari ◽  
M. Beemarao ◽  
M. N. Ponnuswamy
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C8H5ClN2Se, the dihedral angle between the planes of the selenadiazole and chlorophenyl rings is 16.6 (2)°. In the crystal, the packing of the molecules is consolidated by weak C—H...N hydrogen bonds, which generate [001] chains, and π–π stacking interactions are observed between the phenyl and selenadiazole rings, with a centroid–centroid distance of 3.884 (2) Å. There is also a short Se...Cl contact of 3.468 (1) Å

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone

2006 ◽  
Vol 62 (7) ◽  
pp. o3026-o3027 ◽  
Author(s):  
Hong-Mei Xu ◽  
Shi-Xiong Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The molecule of the title compound, C14H11N3O5, is approximately planar, the dihedral angles between the two aromatic rings being 4.63 (7)°. O—H...N, N—H...O and O—H...O hydrogen bonds and π–π stacking interactions help to consolidate the crystal packing.

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