scholarly journals N-[(E)-Quinolin-2-ylmethylidene]-1,2,4-triazol-4-amine hemihydrate

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
Nurulizzatul Ningsheh M. Shahri ◽  
Nur Halilatul Sadiqin Omar Ali ◽  
Malai Haniti Sheikh Abdul Hamid ◽  
Aminul Huq Mirza ◽  
Anwar Usman ◽  
...  
Keyword(s):  
Schiff Base ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Condensation Reaction ◽  
Triazole Ring ◽  
Ring System ◽  
Stacking Interactions ◽  
Quinoline Ring ◽  
Π Stacking

The title hemihydrate, C12H9N5·0.5H2O, was isolated from the condensation reaction of quinoline-2-carbaldehyde with 4-amino-4H-1,2,4-triazole. The Schiff base molecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water molecule bridges two Schiff base molecules via O—H...N hydrogen bonds. The Schiff base molecules are interconnected by π–π stacking interactions [centroid-centroid distances of 3.7486 (7) and 3.9003 (7) Å] into columns along [1\overline{1}0].

scholarly journals 5,7-Dibromo-8-methoxyquinoline

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
Ísmail Çelik ◽  
Salih Ökten ◽  
Mehmet Akkurt ◽  
Cem Cüneyt Ersanlı ◽  
Osman Çakmak ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Quinoline Ring ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C10H7Br2NO, the methoxy C atom deviates from the quinoline ring system (r.m.s deviation = 0.003 Å) by 1.204 (4) Å. In the crystal, C—H...O hydrogen bonds link the molecules into infinite chains along theb-axis direction. Aromatic π–π stacking interactions [centroid-to-centroid distance = 3.7659 (19) Å] are also observed.

scholarly journals Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Yunfei Li ◽  
Yongmei Xiao ◽  
Xinchi Zhang ◽  
Liangru Yang ◽  
Jinwei Yuan ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Phosphonate Group ◽  
Compound C ◽  
Π Stacking ◽  
Methoxy Groups ◽  
Coumarin Ring

In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed.

scholarly journals 2,5-Dimethylphenyl quinoline-2-carboxylate

2014 ◽  
Vol 70 (2) ◽  
pp. o147-o147 ◽  
Author(s):  
E. Fazal ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
S. Nagarajan ◽  
B. S. Sudha
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Stacking Interactions ◽  
Carboxylate Group ◽  
Quinoline Ring ◽  
Compound C ◽  
Π Stacking ◽  
The Mean

In the title compound, C18H15NO2, the dihedral angle between the mean planes of the quinoline ring system and the phenyl ring is 78.8 (1)°. The mean plane of the carboxylate group is twisted from the mean planes of the quinoline ring system and phenyl ring by 1.5 (9) and 77.6 (4)°, respectively. In the crystal, molecules are linked by weak C—H...O interactions, generatingC(8) chains along [001]. Weak π–π stacking interactions are also observed [centroid–centroid separation = 3.6238 (12) Å].

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 Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Mohcine Missioui ◽  
Joel T Mague ◽  
Mohammed El Fal ◽  
Jamal Taoufik ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Ring System ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Π Stacking ◽  
The Mean ◽  
Title Molecule ◽  
Quinoxaline Ring

In the title molecule, C13H14N2O2S, the dihedral angle between the pyrazine and benzene ring planes is 2.21 (5)°. The mean plane of the quinoxaline ring system is inclined to the sufanylacetate substituent by 81.74 (2)°. In the crystal, inversion-related C—H...N hydrogen bonds form dimers, which are linked into oblique stacks along thea-axis direction by C—H...O hydrogen bonds and π–π-stacking interactions.

scholarly journals 6-Nitro-1,3-benzoxazole-2(3H)-thione

IUCrData ◽  
2019 ◽  
Vol 4 (8) ◽  
Author(s):  
Said Jebbari ◽  
El Kihel Abdellatif ◽  
Mustapha Ahbala ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C7H4N2O3S, the dihedral angle between the fused ring system (r.m.s. deviation = 0.008 Å) and the nitro group at the 6-position is 7.3 (2)°. In the crystal, bifurcated N—H...(O,O) hydrogen bonds link the molecules into [010] chains. The chains are cross-linked by π–π stacking interactions to form (001) sheets.

scholarly journals 4-Chloro-3-methylphenyl quinoline-2-carboxylate

2013 ◽  
Vol 69 (12) ◽  
pp. o1842-o1843 ◽  
Author(s):  
E. Fazal ◽  
Manpreet Kaur ◽  
B. S. Sudha ◽  
S. Nagarajan ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Carboxylate Group ◽  
Quinoline Ring ◽  
Compound C ◽  
The Mean

In the title compound, C17H12ClNO2, the dihedral angle between the mean planes of the quinoline ring system and the benzene ring is 68.7 (7)°. The mean plane of the carboxylate group is twisted from the latter planes by 14.0 (1) and 80.2 (4)°, respectively. In the crystal, weak C—H...O interactions are observed, forming chains along [001]. In addition, π–π stacking interactions [centroid–centroid distances = 3.8343 (13) and 3.7372 (13)Å] occur. No classical hydrogen bonds were observed.

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 1-(4-Methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]prop-2-en-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
D. K. Sharma ◽  
N. R. Desai ◽  
S. Sreenivasa ◽  
Sumati Anthal ◽  
Rajni Kant
Keyword(s):  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Ring System ◽  
Stacking Interactions ◽  
Quinoline Ring ◽  
Piperazine Ring ◽  
Π Stacking ◽  
Title Molecule

In the title molecule, C24H25N3O2, the piperazine ring adopts a chair conformation. The methoxyphenyl-substituted ring makes a dihedral angle of 6.79 (5)° with the quinoline ring system. In the crystal, molecules are consolidated in the crystal packing by a combination of weak C—H...N and C—H...O interactions. π–π stacking interactions also occur.

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