3-(Benzotriazol-1-yl)-1-m-tolylpropan-1-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1084-o1085
Author(s):  
Wu-Lan Zeng ◽  
Sai Bi ◽  
Jun Wan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Π Interactions ◽  
Compound C

In the title compound, C16H15N3O, the whole skeleton of non-H atoms is approximately planar; the dihedral angle is 1.45 (2)° between the benzene and triazole rings in the benzotriazole unit and 6.46 (1)° between the other terminal benzene ring and the benzotriazole unit. The crystal structure is stabilized by C—H...π interactions.

3-(3-Methoxyanilino)isobenzofuran-1(3H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4296-o4297
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C15H13NO3, is stabilized by inversion-related N—H...O and C—H...O intermolecular hydrogen bonds and C—H...π interactions. The N—H...O hydrogen bonds generate two C(6) chains, one within the other, and these chains are linked by C—H...O intermolecular hydrogen bonds forming R 4 4(21) ring motifs. The phthalide part of the molecule is planar, and the dihedral angle between the phthalide group and the other benzene ring is 62.81 (8)°.

scholarly journals Crystal structure of (E)-furan-2-carbaldehydeO-benzoyloxime

2017 ◽  
Vol 73 (9) ◽  
pp. 1326-1328
Author(s):  
Yousef M. Hijji ◽  
Rajeesha Rajan ◽  
Said Mansour ◽  
Hamdi Ben Yahia
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Twist Angle ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
And Inversion

In the title compound, C12H9NO3, the benzoate and furan rings are almost coplanar, making a dihedral angle of 11.68 (9)°. The twist angle between the –COO group and the benzene ring is only 2.79 (16)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The molecules stack in a herringbone fashion and inversion-related chains are linked by offset π–π interactions [intercentroid distance = 3.931 (1) Å], forming ribbons propagating along thea-axis direction.

scholarly journals Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde

2015 ◽  
Vol 71 (7) ◽  
pp. o440-o441
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Ahmed Khodairy
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed.

scholarly journals 1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone

2009 ◽  
Vol 65 (6) ◽  
pp. o1198-o1198
Author(s):  
Ye-Chao Hang ◽  
Jin-Xiu Ji ◽  
Min-Dong Chen
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H21NO2, the pendant benzene ring is inclined at a dihedral angle of 86.66 (18)° with respect to the adjacent aromatic ring of the carbozole unit. In the crystal structure, symmetry-related molecules are linkedviaC—H...O and C—H...π interactions.

scholarly journals Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine

2015 ◽  
Vol 71 (2) ◽  
pp. o74-o74
Author(s):  
N. C. Sandhya ◽  
Chandra ◽  
G. P. Suresha ◽  
N. K. Lokanath ◽  
M. Mahendra
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C15H13NS, the thiazine ring adopts a boat conformation. The dihedral angle between the planes of the benzene ring of the benzothiazine unit and the tolyl ring is 19.52 (9)°. In the crystal, molecules are linked by weak C—H...π interactions into a tape structure along theb-axis direction.

scholarly journals 9-(2-Bromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate

2012 ◽  
Vol 68 (6) ◽  
pp. o1722-o1723
Author(s):  
Damian Trzybiński ◽  
Andrzej Sieradzan ◽  
Karol Krzymiński ◽  
Jerzy Błażejowski
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Title Compound ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the crystal structure of the title compound, C21H15BrNO2 +·CF3SO3 −, adjacent cations are linked through C—Br...π and π–π contacts [centroid–centroid distance = 3.744 (2) Å], and neighbouring cations and anions via C—H...O, C—F...π and S—O...π interactions. The acridine and benzene ring systems are oriented at a dihedral angle of 18.7 (1)°. The carboxy group is twisted at an angle of 69.3 (1)° relative to the acridine skeleton. The mean planes of adjacent acridine moieties are either parallel or inclined at an angle of 27.8 (1)° in the lattice.

3-[(2-Hydroxy-5-nitrophenyl)amino]-2-benzofuran-1(3H)-one monohydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3042-o3043 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C14H10N2O5·H2O, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by π–π interactions. The dihedral angle between the phthalide group and the benzene ring is 51.45 (8)°.

scholarly journals Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (2) ◽  
pp. o119-o120
Author(s):  
D. Shanthi ◽  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C21H15NO3, the molecule has anEconformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the molecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 0.1 (3)°]. In the crystal, molecules are linkedviaC—H...π interactions, involving the terminal benzene rings, forming corrugated layers parallel to (100).

scholarly journals Crystal structure of 4-phenyl-1-{2-[(2,4,6-trimethylphenyl)selanyl]phenyl}-1H-1,2,3-triazole

2015 ◽  
Vol 71 (3) ◽  
pp. o204-o205
Author(s):  
Leandro R. S. Camargo ◽  
Julio Zukerman-Schpector ◽  
Anna M. Deobald ◽  
Antonio L. Braga ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Membered Ring ◽  
Double Layers ◽  
Π Interactions ◽  
Compound C

In the title compound, C23H21N3Se, the C-bound phenyl ring is almost coplanar with the central five-membered ring [dihedral angle = 2.84 (10)°], but the N-bound benzene ring is inclined [dihedral angle = 47.52 (10)°]. The dihedral angle between the Se-bound rings is 69.24 (9)°. An intramolecular Se...N interaction of 3.0248 (15) Å is noted. In the crystal, C—H...π interactions connect molecules into double layers that stack along theaaxis with no directional interactions between them.

scholarly journals 1-(4-Bromophenylsulfonyl)-2-methylnaphtho[2,1-b]furan

2012 ◽  
Vol 68 (8) ◽  
pp. o2324-o2324 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Furan Ring ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C19H13BrO3S, the 4-bromophenyl ring makes a dihedral angle of 64.11 (2)° with the mean plane [r.m.s. deviation = 0.01 (2) Å] of the naphthofuran ring. In the crystal, molecules are linked by weak C—H...O and C—H...π interactions. The crystal structure also exhibits slipped π–π interactions between the central naphthofuran benzene rings of neighbouring molecules [centroid–centroid distance = 3.559 (2), slippage = 1.036 (2) Å], and between the central naphthofuran benzene ring and the furan ring of neighbouring molecules [centroid–centroid distance = 3.655 (2), slippage = 1.136 (2) Å].

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