scholarly journals (E)-N′-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1002-o1002 ◽  
Author(s):  
Mashooq A. Bhat ◽  
Hatem A. Abdel-Aziz ◽  
Hazem A. Ghabbour ◽  
Madhukar Hemamalini ◽  
Hoong-Kun Fun
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C16H17N3O·H2O, the isonicotinohydrazide molecule adopts anEconformation about the central C=N double bond. The dihedral angle between the pyridine and the benzene rings is 54.56 (15)°. In the crystal, molecules are connectedviaN—H...O, O—H...N and O—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxylate

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Aravazhi Amalan Thiruvalluvar ◽  
Raviraj Kusanur ◽  
Makuteswaran Sridharan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C12H14BrN3O2, the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H...N hydrogen bonds generate R 2 2(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking interactions [centroid–centroid separation = 3.7394 (6) Å] and C—H...O and C—H...Br hydrogen bonds.

scholarly journals 5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (7) ◽  
pp. o829-o829
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluorophenyl ring is 28.53 (6)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.625 (2) Å], forming a three-dimensional network.

scholarly journals (E)-4-Bromo-N′-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1069-o1070 ◽  
Author(s):  
Jirapa Horkaew ◽  
Suchada Chantrapromma ◽  
Teerasak Anantapong ◽  
Akkharawit Kanjana-Opas ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C15H13BrN2O3·H2O, the dihedral angle between the two benzene rings is 13.92 (6)°. The methoxy group of the 4-hydroxy-3-methoxyphenyl is almost coplanar with its bound benzene ring, as seen by the Cmethyl—O—C—C torsion angle of −0.35 (16)°. In the crystal, molecules are linked into a three-dimensional network by N—H...O, O—H...N and O—H...O hydrogen bonds and also weak C—H...O interactions. A short C...O contact of 3.0191 (15) Å is also present.

scholarly journals 2-(2,5-Dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

2012 ◽  
Vol 68 (4) ◽  
pp. o966-o966 ◽  
Author(s):  
Hyeong Choi ◽  
Yong Suk Shim ◽  
Byung Hee Han ◽  
Sung Kwon Kang ◽  
Chang Keun Sung
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C18H21NO4, the dihedral angles between the acetamide group and the methoxy- and hydroxy-substitured benzene rings are 80.81 (5) and 8.19 (12)°, respectively. The benzene rings are twisted with respect to each other, making a dihedral angle of 72.89 (5)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into a three-dimensional network.

scholarly journals Methyl 2,4-dihydroxy-5-(4-nitrobenzamido)benzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o207-o207
Author(s):  
Syeda Sohaila Naz ◽  
Nazar Ul Islam ◽  
M. Nawaz Tahir ◽  
Muhammad Raza Shah
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H12N2O7, the dihedral angle between the aromatic rings is 4.58 (13)° and the nitro group is rotated from its attached ring by 18.07 (17)°. Intramolecular N—H...O and O—H...O hydrogen bonds generateS(5) andS(6) rings, respectively. In the crystal, molecules are linked by O—H...O hydrogen bonds, generating [001]C(7) chains. The chains are linked by C—H...O interactions, forming a three-dimensional network, which incorporatesR22(7) andR22(10) loops.

scholarly journals 4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate

2012 ◽  
Vol 68 (4) ◽  
pp. o1094-o1094
Author(s):  
Belal O. Al-Najjar ◽  
Tengku Sifzizul Tengku Muhammad ◽  
Habibah A. Wahab ◽  
Mohd Mustaqim Rosli ◽  
Hoong-Kun Fun
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Central Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C18H13F2NO5S2, the complete molecule is generated by a crystallographic inversion centre, and the O atom and the N—H group attached to the central ring are statistically disordered. The dihedral angle between the central and terminal benzene rings is 64.03 (6)°. In the crystal, N—H...O, C—H...F and C—H...O interactions link the molecules into a three-dimensional network.

scholarly journals 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate

2012 ◽  
Vol 68 (4) ◽  
pp. o952-o952 ◽  
Author(s):  
Sammer Yousuf ◽  
Aurang Zeb ◽  
Fatima Z. Basha
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C13H12FN3O4, the dihedral angle between the benzene and imidazole rings is 32.77 (12)°. In the crystal, molecules are linked into a three-dimensional network by C—H...O hydrogen bonds.

scholarly journals 4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2370-o2370
Author(s):  
Mansour S. Al-Said ◽  
Mostafa M. Ghorab ◽  
Hazem A. Ghabbour ◽  
Ching Kheng Quah ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Dimensional Network

In the title compound, C14H18N2O3S, the cyclohexene ring exhibits a distorted half-chair conformation and its mean plane makes a dihedral angle of 46.18 (8)° with the benzene ring. In the crystal, molecules are linkedviaN—H...O, N—H...(O,O) and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Redetermined structure of oxaline: absolute configuration using Cu Kα radiation

2012 ◽  
Vol 68 (6) ◽  
pp. o1626-o1626 ◽  
Author(s):  
Peng Qu ◽  
Zhi-Yong Wu ◽  
Wei-Ming Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Absolute Configuration ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Absolute Structure ◽  
Atomic Coordinates

In the title compound, C24H25N5O4, the stereogenic C atom bonded to three N atoms and one C atom has an S configuration and its directly bonded neighbour has an R configuration. An intramolecular N—H...O hydrogen bond supports the near coplanarity of the two C3N2-five-membered rings [dihedral angle = 5.64 (10)°]. In the crystal, molecules are linked by N—H...N hydrogen bonds, forming a C(8) chain propagating in [001]. The chains are connected by C—H...O interactions, generating a three-dimensional network. The previous study [Nagel et al. (1974). Chem. Commun. pp. 1021–1022] did not establish the absolute structure and no atomic coordinates were published or deposited.

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