Limits...
2-Bromo-1-(3-nitro-phen-yl)ethanone.

Jasinski JP, Butcher RJ, Praveen AS, Yathirajan HS, Narayana B - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6 (4) (A) and 2.8 (3) (B), and 0.8 (8) (A) and 5.5 (8)° (B), respectively.An extensive array of weak C-H⋯O hydrogen bonds, π-π ring stacking [centroid-centroid distances = 3.710 (5) and 3.677 (5) Å] and short non-hydrogen Br⋯O and O⋯Br inter-molecular inter-actions [3.16 (6)and 3.06 (8) Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110.These inter-actions give rise to a variety of cyclic graph-set motifs and form inter-connected sheets in the three-dimensional structure.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(8)H(6)BrNO(3), there are two mol-ecules, A and B, in the asymmetric unit. The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6 (4) (A) and 2.8 (3) (B), and 0.8 (8) (A) and 5.5 (8)° (B), respectively. An extensive array of weak C-H⋯O hydrogen bonds, π-π ring stacking [centroid-centroid distances = 3.710 (5) and 3.677 (5) Å] and short non-hydrogen Br⋯O and O⋯Br inter-molecular inter-actions [3.16 (6)and 3.06 (8) Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110. These inter-actions give rise to a variety of cyclic graph-set motifs and form inter-connected sheets in the three-dimensional structure.

No MeSH data available.


Packing diagram of the title compound viewed down the a axis. Dashed lines indicate weak C—H···O and C—H···Br hydrogen bonds and short non-hydrogen, Br···O and O···Br, intermolecular interactions creating a 3-D supramolecular structure along 110.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC3050415&req=5

Fap2: Packing diagram of the title compound viewed down the a axis. Dashed lines indicate weak C—H···O and C—H···Br hydrogen bonds and short non-hydrogen, Br···O and O···Br, intermolecular interactions creating a 3-D supramolecular structure along 110.


2-Bromo-1-(3-nitro-phen-yl)ethanone.

Jasinski JP, Butcher RJ, Praveen AS, Yathirajan HS, Narayana B - Acta Crystallogr Sect E Struct Rep Online (2010)

Packing diagram of the title compound viewed down the a axis. Dashed lines indicate weak C—H···O and C—H···Br hydrogen bonds and short non-hydrogen, Br···O and O···Br, intermolecular interactions creating a 3-D supramolecular structure along 110.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050415&req=5

Fap2: Packing diagram of the title compound viewed down the a axis. Dashed lines indicate weak C—H···O and C—H···Br hydrogen bonds and short non-hydrogen, Br···O and O···Br, intermolecular interactions creating a 3-D supramolecular structure along 110.
Bottom Line: The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6 (4) (A) and 2.8 (3) (B), and 0.8 (8) (A) and 5.5 (8)° (B), respectively.An extensive array of weak C-H⋯O hydrogen bonds, π-π ring stacking [centroid-centroid distances = 3.710 (5) and 3.677 (5) Å] and short non-hydrogen Br⋯O and O⋯Br inter-molecular inter-actions [3.16 (6)and 3.06 (8) Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110.These inter-actions give rise to a variety of cyclic graph-set motifs and form inter-connected sheets in the three-dimensional structure.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(8)H(6)BrNO(3), there are two mol-ecules, A and B, in the asymmetric unit. The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6 (4) (A) and 2.8 (3) (B), and 0.8 (8) (A) and 5.5 (8)° (B), respectively. An extensive array of weak C-H⋯O hydrogen bonds, π-π ring stacking [centroid-centroid distances = 3.710 (5) and 3.677 (5) Å] and short non-hydrogen Br⋯O and O⋯Br inter-molecular inter-actions [3.16 (6)and 3.06 (8) Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110. These inter-actions give rise to a variety of cyclic graph-set motifs and form inter-connected sheets in the three-dimensional structure.

No MeSH data available.