scholarly journals Crystal structure of di-μ-trihydro(pentafluorophenyl)borato-tetrakis(tetrahydrofuran)disodium

2020 ◽  
Vol 76 (2) ◽  
pp. 145-147 ◽  
Author(s):  
Ryo Tanaka ◽  
Takeshi Shiono
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Fluorine Atom ◽  
Sodium Atom ◽  
Dimeric Structure ◽  
Benzene Rings

The title compound, [Na(μ-C6F5BH3)(C4H8O)2]2, represents a dimeric structure of sodium and organoborohydride, located about a centre of inversion. The Na...B distances of 2.7845 (19) and 2.7494 (18) Å were apparently longer than the Li...B distances (2.403–2.537 Å) of the lithium organotrihydroborates in the previous reports. Moreover, an interaction between the sodium atom and one fluorine atom on the 2-position of the benzene ring is observed [Na—F = 2.6373 (12) Å]. In the crystal, the dimeric molecules are stacked along the b-axis via a π–π interaction between the benzene rings.

scholarly journals Crystal structure of 5-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-6-methylcyclohex-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. 16-18
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
J. Sidharthan ◽  
R. Vasanthi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C27H26O3, crystallized with two independent molecules (AandB) in the asymmetric unit. In moleculeA, the plane of the central benzene ring forms dihedral angles of 75.78 (14) and 52.75 (16)° with that of the terminal benzene rings, and the dihedral angle between the planes of the terminal benzene rings is 51.49 (17)°. The corresponding values for moleculeBare 75.18 (14), 58.11 (16) and 47.91 (16)°, respectively. The cyclohexene ring adopts an envelope conformation in both molecules, with the C atom to which is attached the central benzene ring as the flap. The crystal packing, is stabilized by C—H...π interactions.

scholarly journals 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1354-o1354
Author(s):  
Jinpeng Zhang ◽  
Jie Ding ◽  
Shu Yan ◽  
Liangce Rong ◽  
Lichun Xu
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Quinoline Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the molecule of the title compound, C20H13FN2O, the fluorophenyl ring is oriented at a dihedral angle of 72.76 (3)° with respect to the fused benzene ring. In the crystal structure, intermolecular N—H...O, C—H...O and C—H...F interactions link the molecules into chains. π–π contacts between the quinoline and benzene rings [centroid–centroid distance = 3.918 (3) Å] may further stabilize the structure. A weak C—H...π interaction is also present. The O atom and two of the CH2groups of the quinoline ring system are disordered over two positions. The O atom was refined with occupancies of 0.489 (17) and 0.511 (17), while C and H atoms were refined with occupancies of 0.435 (13) and 0.565 (13).

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 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].

scholarly journals Crystal structure of (2E)-1-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (12) ◽  
pp. o930-o930 ◽  
Author(s):  
B. R. Anitha ◽  
M. Vinduvahini ◽  
A. J. Ravi ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Benzene Rings

In the title compound, C13H8BrClOS, the thienyl ring is not coplanar with the benzene ring, their planes forming a dihedral angle of 13.2 (4)°. In the crystal, molecules stack along theaaxis, with the interplanar separation between thienyl rings and between benzene rings being 3.925 (6) Å. The sample is an inversion twin.

scholarly journals Crystal structure of (E)-2,6-dimethoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol

2018 ◽  
Vol 74 (11) ◽  
pp. 1540-1542
Author(s):  
Md. Serajul Haque Faizi ◽  
Mohamad Nadeem Lone ◽  
Necmi Dege ◽  
Sergey Malinkin ◽  
Tatiana Yu. Sliva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Methoxy Groups ◽  
Benzene Rings

In the title compound, C16H17NO4, the dihedral angle between benzene rings is 72.7 (2)°. The methoxy groups are rotated by 2.4 (2) and −4.9 (2) (benzilidene moiety) and by 5.6 (3)° (aniline moiety) relative to the adjacent benzene ring. In the crystal, the molecules are linked into chains along [101] through C—H...O and O—H...N hydrogen bonds.

scholarly journals Crystal structure of ethyl 3-(4-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate

2015 ◽  
Vol 71 (12) ◽  
pp. o1028-o1028
Author(s):  
Ilya Efimov ◽  
Pavel Slepukhin ◽  
Vasiliy Bakulev
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings

In the title compound, C16H17ClN2O3, two molecules,AandB, with different conformations, comprise the asymmetric unit. In moleculeA, the C=O group of the ester points away from the benzene ring [C—C—C=O = −170.8 (3)°], whereas in moleculeB, it points back towards the benzene ring [C—C—C=O = 17.9 (4)°]. The dihedral angles betweeen the oxazole and benzene rings also differ somewhat [46.26 (13) for moleculeAand 41.59 (13) for moleculeB]. Each molecule features an intramolecular C—H...O interaction, which closes anS(6) ring. In the crystal, theBmolecules are linked into [001]C(12) chains by weak C—H...Cl interactions.

4,6-Bis{2′-hydroxy-2′,3′-dihydrospiro[cyclopropane-1,1′(1H)-inden]-3′-yl}isophthalonitrile

2007 ◽  
Vol 63 (3) ◽  
pp. o1232-o1234 ◽  
Author(s):  
Zhi-Feng Lu ◽  
Jian-Hua Xu ◽  
Jeannie Bee-Jan Teh ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C30H24N2O2, the central benzene ring forms dihedral angles of 84.3 (1) and 86.4 (1)° with the terminal benzene rings. The crystal structure is stabilized by O—H...O and C—H...π interactions.

scholarly journals 4-Methoxy-N-(4-nitrobenzyl)aniline

2012 ◽  
Vol 68 (4) ◽  
pp. o988-o988
Author(s):  
Kamini Kapoor ◽  
Vivek K. Gupta ◽  
Indresh Kumar ◽  
Nisar A. Mir ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C14H14N2O3, the nitro group is nearly coplanar with the benzene ring to which it is bonded [dihedral angle = 1.70 (2)°], and this ring ispara-substituted by the aminomethylene group. The dihedral angle between the benzene rings is 57.8 (1)°. The crystal structure is stabilized by N—H...O and C—H...O hydrogen bonds and weak C—H...π interactions are also observed.

scholarly journals Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o413-o413
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Shahid ◽  
Munawar Ali Munawar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Title Compound ◽  
Methyl Groups ◽  
Stacking Interactions ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C16H15NO2, the 2-benzofuran-1(3H)-one and 3,4-dimethylaniline fragments are oriented with a dihedral angle of 89.12 (5)°. N—H...O hydrogen-bond interactions join molecules intoC(6) chains propagating along theaaxis. In addition, there are π–π stacking interactions between the 2-benzofuranone benzene rings [centroid–centroid distance = 3.7870 (13) Å] and C—H...π interactions between one of the methyl groups and the 3,4-dimethylaniline benzene ring.

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