7-Nitro-2-phenyl-4H-3,1-benzoxazin-4-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4226-o4227 ◽  
Author(s):  
Zulfiqar Ali Khan ◽  
Khalid M. Khan ◽  
Shazia Anjum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ambient Temperature ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The title compound, C14H8N2O4, was synthesized by reacting p-nitroanthranilic acid and benzoyl chloride at ambient temperature. The structure is stabilized by an intramolecular C—H...O hydrogen bond and an intermolecular C—H...O hydrogen bond. Additionally, weak π–π stacking interactions [centroid–centroid distance 3.6 (17) Å] between adjacent molecules further stabilize the crystal structure and form parallel layers along the b axis.

Crystal Structure of 4-(1-Hydroxypropyl)- isochroman-1,3-dione

2009 ◽  
Vol 64 (3) ◽  
pp. 328-330 ◽  
Author(s):  
Akoun Abou ◽  
Severin D. Goulizan Bi ◽  
Leopold Kaboré ◽  
Abdoulaye Djandé ◽  
Adama Saba ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Π Stacking

The title compound (C12H10O4) crystallizes in the triclinic space group P1̄ with a = 7.367(3), b = 8.1188(3), c = 9.549(5) Å, α = 74.034(1)°, β = 84.374(2)°, γ = 64.581(3)°, Z = 2, and dcalc = 1.462 g cm−3. It exhibits a strong intramolecular O-H···O hydrogen bond and exists as the exocyclic enolic tautomer as it has been observed in solution. The structure is stabilized by C-H···π, C-O···π and π-π stacking interactions between benzene and pyran rings.

scholarly journals 4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2H-chromen-2-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2413-o2414
Author(s):  
Reshma Naik ◽  
Ravish Sankolli ◽  
G. N. Anil Kumar ◽  
T. N. Guru Row ◽  
Manohar V. Kulkarni
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Side Chains ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H19NO5, an intramolecular O—H...O hydrogen bond links the hydroxyethyl side chains, forming a seven-membered ring. In the crystal, molecules are linked into chainsviaO—H...O hydrogen bonds along thebaxis. Further, molecules are linked by weak intermolecular C—H...O and π–π stacking interactions [centroid–centroid distance = 3.707 (4) Å].

scholarly journals N-Methyl-N-nitroso-p-toluenesulfonamide

2014 ◽  
Vol 70 (7) ◽  
pp. o782-o782
Author(s):  
Kartik Rai ◽  
Vincent Wu ◽  
Priya Gupta ◽  
David A. Laviska ◽  
Benny C. Chan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Methyl Groups ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The crystal structure of the title compound, C8H10N2O3S, displays predominant C—H...O hydrogen-bonding and π–π stacking interactions. The hydrogen bonds are between the O atoms of the sulfonyl group and H atoms on methyl groups. The π–π stacking interactions occur between adjacent aromatic rings, with a centroid–centroid distance of 3.868 (11) Å. These interactions lead to the formation of chains parallel to (101).

scholarly journals Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

2015 ◽  
Vol 71 (8) ◽  
pp. o556-o557
Author(s):  
Aarti Dalal ◽  
Ramesh C. Kamboj ◽  
Dinesh Kumar ◽  
Mahendra Kumar Sharma ◽  
Nagendran Selvarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Photochemical Transformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C19H12ClF3O3, obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts aZconformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H...O hydrogen bond closes anS(6) ring. An intramolecular C—H...O interaction also leads to anS(6) ring. In the crystal, very weak C—H...O interactions and short Cl...Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å].

scholarly journals 3-(2-Pyridyl)-5-(4-pyridyl)-4-(p-tolyl)-1H-1,2,4-triazole

2009 ◽  
Vol 65 (6) ◽  
pp. o1225-o1225
Author(s):  
Lu-Tong Yuan ◽  
Hai Zhang ◽  
Zuo-Xiang Wang ◽  
Zhi-Rong Qu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Centroid Distance

In the molecule of the title compound, C19H15N5, the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl andp-tolyl rings are 28.12 (10), 34.62 (10) and 71.43 (9)°, respectively. The crystal structure is consolidated by C—H...π hydrogen-bonding interactions and by π–π stacking interactions, with a centroid–centroid distance of 3.794 (4) Å.

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1674-o1674 ◽  
Author(s):  
Xin Wu ◽  
Cai-Xia Yuan ◽  
Ling Ma ◽  
Kai-Lu Zhai ◽  
Miao-Li Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C12H13BrN4OS, contains two independent molecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R 2C=S. An intramolecular O—H...N hydrogen bond occurs in each molecule. The crystal structure features weak N—H...S interactions and π–π stacking of the benzene rings [centroid–centroid distance = 3.667 (3) Å].

scholarly journals (Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate

IUCrData ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
Yassir Filali Baba ◽  
Youssef Kandri Rodi ◽  
Joel T. Mague ◽  
Younes Ouzidan ◽  
Fouad Ouazzani Chahdi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings

In the central dihydroquinoline unit of the title compound, C22H16BrN3O3, the dihydropyridinone and benzene rings are inclined to one another by 2.0 (1)°, while the outer pyridine rings are almost perpendicular to the plane of the dihydroquinoline ring system. The conformation of the molecule is partially determined by an intramolecular C—H...O hydrogen bond. In the crystal, molecules stack along theb-axis direction through a combination of C—H...N and C—H...O hydrogen bonds and π–π stacking interactions involving the dihydroquinoline units, with a centroid-to-centroid distance of 3.7648 (15) Å.

scholarly journals (Z)-2-Benzylidene-3-n-butoxy-2H-1,4-benzothiazine

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Nada Kheira Sebbar ◽  
Mohamed Ellouz ◽  
Younes Ouzidan ◽  
Manpreet Kaur ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C19H19NOS, the thiazin-3-one ring of the 1,4-thiazin-3-one moiety adopts a screw-boat conformation. The dihedral angle between the benzene rings is 31.0 (5)°. An intramolecular C—H...S hydrogen bond forms anS(6) ring motif. In the crystal, C—H...π(ring) contacts form inversion dimers and weak π–π stacking interactions, with a centroid-to-centroid distance of 3.8766 (2) Å, also occur.

scholarly journals 9,10-Dihydro-7H-benzo[de]imidazo[2,1-a]isoquinolin-7-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1886-o1886
Author(s):  
Yu Mei Chen ◽  
Jian Chao Shi
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C14H10N2O, all non-H atoms are essentially coplanar (r.m.s. deviation = 0.013 Å). The crystal structure is stabilized by π–π stacking interactions [centroid–centroid distance = 3.506 (3) Å].

scholarly journals Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o413-o413
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Shahid ◽  
Munawar Ali Munawar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Title Compound ◽  
Methyl Groups ◽  
Stacking Interactions ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C16H15NO2, the 2-benzofuran-1(3H)-one and 3,4-dimethylaniline fragments are oriented with a dihedral angle of 89.12 (5)°. N—H...O hydrogen-bond interactions join molecules intoC(6) chains propagating along theaaxis. In addition, there are π–π stacking interactions between the 2-benzofuranone benzene rings [centroid–centroid distance = 3.7870 (13) Å] and C—H...π interactions between one of the methyl groups and the 3,4-dimethylaniline benzene ring.

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