scholarly journals Crystal structure of 1,3,5-trimethyl-2,4-dinitrobenzene

2015 ◽  
Vol 71 (9) ◽  
pp. o670-o671 ◽  
Author(s):  
Ouarda Brihi ◽  
Noudjoud Hamdouni ◽  
Ali Boudjada ◽  
Jean Meinnel
Keyword(s):  
Crystal Structure ◽  
Aromatic Ring ◽  
Title Compound ◽  
Mirror Symmetry ◽  
Dihedral Angles ◽  
Stacking Interaction ◽  
Plane Normal ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C9H10N2O4, the planes of the nitro groups subtend dihedral angles of 55.04 (15) and 63.23 (15)° with that of the aromatic ring. These tilts are in opposite senses and the molecule possesses approximate mirror symmetry about a plane normal to the molecule. In the crystal, molecules form stacks in the [100] direction with adjacent molecules related by translation, although the centroid–centroid separation of 4.136 (5) Å is probably too long to regard as a significant aromatic π–π stacking interaction. An extremely weak C—H...O interaction is also present.

scholarly journals N-Cyclohexyl-N-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine

2012 ◽  
Vol 68 (4) ◽  
pp. o1272-o1272
Author(s):  
De-Cai Wang ◽  
Yu-Jing Wang ◽  
Jun-Song Song ◽  
Ping Wei ◽  
Ping-Kai Ou-yang
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C24H30N6O5, the cyclohexyl ring adopts a chair conformation, while the remainder of the molecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intramolecular π–π stacking interaction with a distance of 3.6627 (18) Å between the ring centroids. In the crystal, C—H...O contacts link the molecules into chains along thebaxis.

scholarly journals Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)methyl]-2-trifluoromethyl-9a,10-dihydrobenz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one

2015 ◽  
Vol 71 (9) ◽  
pp. o672-o673
Author(s):  
Chandra ◽  
Shamantha Kumar. ◽  
K. B. Puttaraju ◽  
K. Shivashankar ◽  
M. Mahendra
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C25H14F3N3O3, the dihedral angle between the planes of the benz[4,5]imidazo[1,2-a]pyrimidine unit (r.m.s. deviation = 0.035 Å) and the benzochromene ring system (r.m.s. deviation = 0.106 Å) is 72.82 (5)°. In the crystal, molecules are linked by C—H...O interactions, generating [010]C(9) chains. A weak aromatic π–π stacking interaction [centroid–centroid separation = 3.5376 (15) Å] is also observed.

scholarly journals 1-Benzyl-2-[(2RS,3SR,6SR)-3-methyl-4-oxo-2,6-diphenylpiperidin-1-ylcarbonyl]-2-phenylethenyl phenylacetate

2006 ◽  
Vol 62 (4) ◽  
pp. o1443-o1445
Author(s):  
Kanagasabapathy Thanikasalam ◽  
Ramasubbu Jeyaraman ◽  
Krishnaswamy Panchanatheswaran ◽  
John N. Low ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

Molecules of the title compound, C42H37NO4, are weakly linked into chains by a C—H...O hydrogen bond and pairs of such chains are linked by a single aromatic π–π stacking interaction.

scholarly journals 2-Bromo-4,4-dimethyl-1-(2,4,5-trimethoxyphenyl)pentan-3-one

2009 ◽  
Vol 65 (6) ◽  
pp. o1359-o1359
Author(s):  
Lin-Lin Tang ◽  
Jiao Ye ◽  
Qi-Xing Liu ◽  
Ai-Xi Hu
Keyword(s):  
Crystal Structure ◽  
Aromatic Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Methoxy Groups

The three methoxy groups of the title compound, C16H23BrO4, are almost coplanar with the attached aromatic ring, forming dihedral angles of 7.19 (13), 2.48 (13) and 7.24 (12)°. The crystal structure shows an intramolecular and an intermolecular C—H...O interaction.

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.

(2RS,4SR)-7-Bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine: sheets built by the π-stacking of hydrogen-bonded chains

2012 ◽  
Vol 68 (3) ◽  
pp. o123-o125 ◽  
Author(s):  
Andrés F. Yépes ◽  
Alirio Palma ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Sheet Structure ◽  
Π Stacking Interaction ◽  
Hydrogen Bonded

The molecules of the title compound, C20H15BrClNO, are linked into chains by a C—H...π(arene) hydrogen bond, in which the acceptor is the brominated ring of the naphthalene unit, and these chains are linked by an aromatic π–π stacking interaction, again involving the naphthalene unit, into a sheet structure.

scholarly journals π-Stacked chains in 3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b,4′,3′-e]pyridine

2006 ◽  
Vol 62 (5) ◽  
pp. o1676-o1678
Author(s):  
Jaime Portilla ◽  
Jose M. de la Torre ◽  
Justo Cobo ◽  
John N. Low ◽  
Christopher Glidewell
Keyword(s):  
Title Compound ◽  
Condensation Reaction ◽  
Space Group ◽  
Stacking Interaction ◽  
Rotation Axes ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

The title compound, C21H17N5, was prepared using a microwave-induced condensation reaction between 5-amino-3-methyl-1-phenylpyrazole and formaldehyde. The molecules lie across twofold rotation axes in space group C2/c and are into chains by a π–π stacking interaction.

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 Crystal structure ofN-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide–pyrrolidine-2,5-dione (1/1)

2017 ◽  
Vol 73 (1) ◽  
pp. 1-3
Author(s):  
Bang Zhong Wang ◽  
Jun Ping Zhou ◽  
Yong Zhou ◽  
Jian Song Luo ◽  
Jun Jie Yang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Mirror Symmetry ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking

The title compound, C17H13Br2N3O·C4H5NO2, is a co-crystal ofN-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide and pyrrolidine-2,5-dione (succinimide). The benzamide molecule exhibits pseudo-mirror symmetry, with an r.m.s. deviation of the non-H atoms of 0.09 Å (except for the two Br atoms). The angle between the least-squares planes of the two molecules is 26.2 (2)°. In the crystal, the two molecules are mutually linked by N—H...O and N—H...N hydrogen bonds. The packing is consolidated by C—H...(O,N) hydrogen bonds and π–π stacking interactions.

scholarly journals Crystal structure ofN′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (12) ◽  
pp. o904-o905 ◽  
Author(s):  
David Tymann ◽  
Dina Christina Dragon ◽  
Christopher Golz ◽  
Hans Preut ◽  
Carsten Strohmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Relative Configuration ◽  
Bond Angles ◽  
Compound C ◽  
A Chain

The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope, with the methylene C atom adjacent to the quaternary C atom being the flap, and the methyl and isopropyl substituents lying to the same side of the ring. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 35.74 (15) and 55.72 (9)°, respectively. The bond angles around the S atom are in the range from 103.26 (12) to 120.65 (14)°. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming a chain along theaaxis.

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