THE MOLECULAR ASSOCIATION, THE APPARENT SYMMETRY OF THE BENZENE RING, AND THE STRUCTURE OF THE NITRO GROUP IN CRYSTALLINE META-DINITROBENZENE. THE VALENCES OF NITROGEN IN SOME ORGANIC COMPOUNDS

1931 ◽  
Vol 53 (12) ◽  
pp. 4280-4290 ◽  
Author(s):  
Sterling B. Hendricks ◽  
Guido E. Hilbert
Keyword(s):  
Nitro Group ◽  
Benzene Ring ◽  
Organic Compounds ◽  
Molecular Association

scholarly journals Crystal structure of (3E)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one

2014 ◽  
Vol 70 (9) ◽  
pp. o1051-o1052 ◽  
Author(s):  
Ignez Caracelli ◽  
Stella H. Maganhi ◽  
Paulo J. S. Moran ◽  
Bruno R. S. de Paula ◽  
Felix N. Delling ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Nitro Group ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Aromatic Rings ◽  
Compound C ◽  
The One

In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] isE, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in theorthoposition is twisted [O—N—C—C = 138.28 (13)°]. The molecules associateviaC—H...O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro–nitro N...O interactions [2.8461 (19) Å] connect the chains into layers that stack along [001].

scholarly journals N-(4-Ethoxy-2,5-dinitrophenyl)acetamide

IUCrData ◽  
2020 ◽  
Vol 5 (8) ◽  
Author(s):  
Sannihith N. Uppu ◽  
Ogad A. Agu ◽  
Curtistine J. Deere ◽  
Frank R. Fronczek
Keyword(s):  
Hydrogen Bond ◽  
Nitro Group ◽  
Benzene Ring ◽  
Title Compound ◽  
The Other ◽  
Ring Plane ◽  
Torsion Angles ◽  
Compound C ◽  
Bifurcated Hydrogen Bond

In the title compound, C10H11N3O6, the torsion angles about the bonds to the benzene ring are less than 4°, except for the nitro groups, which are twisted out of the ring plane by 25.27 (3) and 43.63 (2)°. The N—H group forms a bifurcated hydrogen bond, with an intramolecular component to a nitro group O atom and an intermolecular component to the other nitro group, thereby forming chains propagating in the [010] direction. Several weak C—H...O interactions are also present.

Hydrogen Bonding in organic compounds. 1. o-Nitroanilines

1958 ◽  
Vol 11 (4) ◽  
pp. 513 ◽  
Author(s):  
LK Dyall ◽  
AN Hambly
Keyword(s):  
Hydrogen Bonding ◽  
Nitro Group ◽  
Organic Compounds ◽  
Intramolecular Hydrogen Bonding ◽  
Amino Group ◽  
Infra Red ◽  
Sterically Hindered ◽  
Intramolecular Hydrogen

The infra-red spectra of o-nitroanilines do not indicate any intramolecular hydrogen bonding unless there are nitro groups in both positions 2 and 6 to the amino group. An examination of the literature shows that there is no unambiguous evidence from other sources of such bonding in simple o-nitroanilines. An explanation is given of the variation of the stretching frequencies of the nitro group in sterically hindered compounds and in those with electron-donating ortho- and para-substituents.

scholarly journals 4-Formyl-2-nitrophenyl 2-chlorobenzoate

2013 ◽  
Vol 69 (12) ◽  
pp. o1806-o1806 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Geraldine Hernandez ◽  
Javier Ellena ◽  
Carlos A. De Simone ◽  
Juan C. Tenorio
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ester Group ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)°. The mean plane of the central ester group [r.m.s. deviation = 0.024 Å] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains, which run along [100].

scholarly journals Crystal structure and thermal behaviour of pyridinium styphnate

2015 ◽  
Vol 71 (2) ◽  
pp. 117-120 ◽  
Author(s):  
Selvarasu Muthulakshmi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Three Dimensional ◽  
High Energy ◽  
High Energy Density ◽  
Dimensional Structure ◽  
Molecular Salt ◽  
Ring Motif

In the crystal structure of the title molecular salt, C5H6N+·C6H2N3O8−(systematic name: pyridinium 3-hydroxy-2,4,6-trinitrophenolate), the pyridinium cation and the 3-hydroxy-2,4,6-trinitrophenolate anion are linked through bifurcated N—H...(O,O) hydrogen bonds, forming anR12(6) ring motif. The nitro groupparawith respect to phenolate ion forms an intramolecular hydrogen bond with the adjacent phenolic –OH group, which results in anS(6) ring motif. The nitro group flanked by the phenolate ion and the phenolic –OH group deviates noticeably from the benzene ring, subtending a dihedral angle of 89.2 (4)°. The other two nitro groups deviate only slightly from the plane of the benzene ring, making dihedral angles of 2.8 (4) and 3.4 (3)°. In the crystal, the 3-hydroxy-2,4,6-trinitrophenolate anions are linked through O—H...O hydrogen bonds, forming chains along [100]. These anionic chains, to which the cations are attached, are linkedviaC—H...O hydrogen bonds, forming a three-dimensional structure. Impact friction sensitivity tests and TGA/DTA studies on the title molecular salt imply that it is an insensitive high-energy-density material.

scholarly journals 2-[1-(4-Bromophenyl)-2-nitroethyl]hexanoic acid

2014 ◽  
Vol 70 (5) ◽  
pp. o518-o518
Author(s):  
Yanpeng Zhang ◽  
Can Zhang ◽  
Ai-Bao Xia
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Nitro Group ◽  
Benzene Ring ◽  
Acid Group ◽  
Hexanoic Acid ◽  
Dihedral Angles ◽  
Carboxylic Acid Group

In the crystal structure of the title compoud, C14H18BrNO4, molecules are linked by a strong O—H...O hydrogen bond and weaker C—H...O interactions. The benzene ring makes dihedral angles of 3.67 (3) and 72.63 (3)° with the carboxylic acid group and the nitro group, respectively.

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

2013 ◽  
Vol 69 (2) ◽  
pp. o171-o171
Author(s):  
Qi-Ming Qiu ◽  
Yang-Zhe Cui ◽  
Yin-Hua Zhao ◽  
Qiong-Hua Jin ◽  
Cun-Lin Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Crystal Packing ◽  
Π Interactions ◽  
Title Molecule

In the title molecule, C7H4N2O2S2, the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring. In the crystal, N—H...S hydrogen bonds link pairs of molecules into inversion dimers, which are linked by weak C—H...O interactions into sheets parallel to (101). The crystal packing exhibits short intermolecular S...O contacts of 3.054 (4) Å and π–π interactions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring molecules.

scholarly journals Crystal structure of 4,4′-dinitro-[1,1′-biphenyl]-2-amine

2017 ◽  
Vol 73 (4) ◽  
pp. 550-552
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashanul Haque ◽  
Necmi Dege ◽  
Syed Imran Hasan ◽  
Mustafa Dege ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Bond Forming ◽  
Biphenyl Derivative ◽  
Benzene Rings ◽  
Ring Motif

In the title biphenyl derivative, C12H9N3O4, the dihedral angle between the benzene rings is 52.84 (10)°. The nitro group attached to the benzene ring is inclined to the ring by 4.03 (2)°, while the nitro group attached to the amino-substituted benzene ring is inclined to the ring by 8.84 (2)°. In the crystal, molecules are linked by two pairs of N—H...O hydrogen bonds, forming chains propagating along [101]. Within the chains, these N—H...O hydrogen bonds result in the formation ofR22(20) andR22(14) ring motifs. The latter ring motif is reinforced by a pair of C—H...O hydrogen bonds, enclosingR21(6) ring motifs. The chains are linked by a second C—H...O hydrogen bond, forming a three-dimensional supramolecular structure.

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