scholarly journals Crystal structure oftert-butyl-N-phenylcarbonitrilium tetrachloridoaluminate

2014 ◽  
Vol 70 (11) ◽  
pp. 331-333 ◽  
Author(s):  
Tom van Dijk ◽  
Dirk W. Zant ◽  
Robert Wolf ◽  
Koop Lammertsma ◽  
J. Chris Slootweg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Triple Bond ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Linear Configuration

In the title compound, (C11H14N)[AlCl4], the nitrilium (systematic name: 2,2-dimethyl-N-phenylpropanenitrilium) ion adopts a slightly distorted linear configuration [C—N[triple-bond]C = 178.87 (16) and N[triple-bond]C—C = 179.13 (17)°]. In the crystal, while there are no intermolecular hydrogen bonds, pairs of nitrilium ions are linked through π–π interactions [inter–centroid distance = 3.8091 (13) Å].

3-(5-Chloro-2-hydroxyanilino)isobenzofuran-1(3H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4343-o4343
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

The crystal structure of the title compound, C14H10ClNO3, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by C—H...π and π–π interactions (centroid-to-centroid distance 3.681 Å and plane-to plane separation 3.618 Å). The O—H...O and C—H...O hydrogen bonds generate edge-fused R 2 1(6)R 4 4(27)R 2 1(6) ring motifs. The phthalide part of the molecule is planar and is inclined at 76.8 (2)° to the benzene ring of the aminophenyl group.

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

scholarly journals Crystal structure of 3-amino-2-ethylquinazolin-4(3H)-one

2015 ◽  
Vol 71 (9) ◽  
pp. o650-o651
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammed Baashen ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Ethyl Group ◽  
Π Interactions ◽  
Step Structure ◽  
Compound C ◽  
Centroid Distance

The molecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N—C—C—C torsion angle of 1.5 (2)°. In the crystal, inversion-related molecules are stacked along theaaxis. Molecules are oriented head-to-tail and display π–π interactions with a centroid-to-centroid distance of 3.6664 (8) Å. N—H...O hydrogen bonds between molecules generate a `step' structure through formation of anR22(10) ring.

scholarly journals Crystal structure of 7-{[bis(pyridin-2-ylmethyl)amino]methyl}-5-chloroquinolin-8-ol

2015 ◽  
Vol 71 (12) ◽  
pp. 1545-1547
Author(s):  
Koji Kubono ◽  
Kimiko Kado ◽  
Yukiyasu Kashiwagi ◽  
Keita Tani ◽  
Kunihiko Yokoi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C22H19ClN4O, the quinolinol moiety is almost planar [r.m.s. deviation = 0.012 Å]. There is an intramolecular O—H...N hydrogen bond involving the hydroxy group and a pyridine N atom forming anS(9) ring motif. The dihedral angles between the planes of the quinolinol moiety and the pyridine rings are 44.15 (9) and 36.85 (9)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming inversion dimers with anR44(10) ring motif. The dimers are linked by C—H...N hydrogen bonds, forming ribbons along [01-1]. The ribbons are linked by C—H...π and π–π interactions [inter-centroid distance = 3.7109 (11) Å], forming layers parallel to (01-1).

scholarly journals 5-Chloro-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1065-o1066
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C16H12ClFO3S, the dihedral angle between the plane of the benzofuran ring system [r.m.s. deviation = 0.007 (1) Å] and that of the 4-fluorophenyl ring is 76.11 (5)°. In the crystal, molecules are linked into [010] chainsviatwo different inversion-generated pairs of C—H...O hydrogen bonds. The crystal structure also exhibits weak π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.820 (2) Å].

scholarly journals Crystal structure of (E)-N′-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide

2017 ◽  
Vol 73 (8) ◽  
pp. 1151-1153
Author(s):  
Suwadee Jiajaroen ◽  
Kittipong Chainok ◽  
Filip Kielar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C13H10FN3O2, the molecule has an E conformation with respect to the C=N bond of the hydrazone bridge. The dihedral angle between the isonicotinoyl and fluorophenol moieties is 4.03 (4)°, and an intramolecular O—H...N hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, resulting in the formation of layers lying parallel to the ab plane. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.6887 (8) Å].

scholarly journals 5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran

2012 ◽  
Vol 68 (8) ◽  
pp. o2491-o2491 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C15H10BrFO2S, the 3-fluorophenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and a Br...O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluorophenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5).

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 2-benzylamino-4-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (3) ◽  
pp. 296-298
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Title Compound ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring

In the title compound C22H18BrN3, the cyclopentane ring adopts an envelope conformation with the central methylene C atom as the flap. The dihedral angles between the central pyridine ring and the pendant benzyl and and bromobenzene rings are 82.65 (1) and 47.23 (1)°, respectively. In the crystal, inversion dimers linked by pairs of N—H...Nn(n = nitrile) hydrogen bonds generateR22(12) loops. These dimers are linked by weak π–π interactions [centroid–centroid distance = 3.7713 (14) Å] into a layered structure.

scholarly journals Crystal structure of 2,3′-bipyridine-2′,6′-dicarbonitrile

2018 ◽  
Vol 74 (9) ◽  
pp. 1272-1275 ◽  
Author(s):  
Seoulgi Jung ◽  
Ki-Min Park ◽  
Jinho Kim ◽  
Youngjin Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Triple Bond ◽  
Dihedral Angles ◽  
Supramolecular Framework ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The title compound, C12H6N4, crystallizes with four independent molecules (A, B, C and D) in the asymmetric unit. The dihedral angles between the two pyridine rings in each molecule are 25.25 (8)° in A, 5.51 (9)° in B, 11.11 (9)° in C and 16.24 (8)° in D. In the crystal, molecules A and B are linked by C—H...N hydrogen bonds to form layers extending parallel to the ab plane, while molecules C and D are linked by C—H...N hydrogen bonds forming –C–D–C–D– chains propagating along the b-axis direction. The layers and the chains are stacked alternately along the c axis through offset π–π and C[triple-bond]N...π [N-to-pyridine-centroid distance = 3.882 (2) Å] interactions, resulting in the formation of a supramolecular framework.

Sign in / Sign up

Export Citation Format

Share Document