scholarly journals Synthesis and crystal structure of (E)-2-benzyl-1,3-diphenylisothiouronium iodide

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Sungmin Kang ◽  
Taek Hyeon Kim ◽  
Chee-Hun Kwak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Bond Angle ◽  
Aromatic Rings ◽  
Synthesis And Crystal Structure ◽  
Molecular Salt

In the title molecular salt, C20H19N2S+·I−, prepared by the reaction of 1,3-diphenylthiourea and benzyl iodide, the C—S—C thioether bond angle is 101.66 (9)° and electrons are delocalized over the N+= C—N skeleton. The dihedral angle between the aromatic rings attached to the N atoms is 40.60 (9)°. In the crystal, N—H...I hydrogen bonds link the components into [100] chains.

scholarly journals Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate

2017 ◽  
Vol 73 (9) ◽  
pp. 1305-1307 ◽  
Author(s):  
Muthaiah Jeevaraj ◽  
Palaniyappan Sivajeyanthi ◽  
Bellarmin Edison ◽  
Kaliyaperumal Thanigaimani ◽  
Kasthuri Balasubramani ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Ion Pairs ◽  
Ion Pair ◽  
Hirshfeld Surface ◽  
Carboxyl Group ◽  
Aromatic Rings ◽  
Fingerprint Plot ◽  
Molecular Salt

In the title molecular salt, C6H10N3O+·C7H5O3−, the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)°. The anion features an intramolecular O—H...O hydrogen bond, which closes anS(6) ring. The cation and anion are linked by two N—H...O hydrogen bonds [R22(8) motif] to generate an ion pair in which the dihedral angle between the aromatic rings is 8.34 (9)°. Crystal symmetry relates two ion pairs bridged by further N—H...O hydrogen bonds into a tetramericDDAAarray. The tetramers are linked by pairs of C—H...O hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented.

scholarly journals Crystal structure of 1-[(6-chloropyridin-3-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

2015 ◽  
Vol 71 (6) ◽  
pp. 660-662
Author(s):  
S. Jeyaseelan ◽  
H. R. Rajegowda ◽  
R. Britto Dominic Rayan ◽  
P. Raghavendra Kumar ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Aromatic Rings ◽  
Compound C

The tetrahydropyridine ring of the quinoline system in the title compound, C14H13ClN2O2S, adopts a half-chair conformation with the bond-angle sum at the N atom being 350.0°. The dihedral angle between the least-squares planes of the two aromatic rings is 50.13 (11)°. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generateR22(10) loops. Additional intermolecular C—H...O hydrogen bonds generateC(7) chains along [100].

scholarly journals Crystal structure of 1-tosyl-1,2,3,4-tetrahydroquinoline

2014 ◽  
Vol 70 (11) ◽  
pp. o1176-o1176 ◽  
Author(s):  
S. Jeyaseelan ◽  
K.V. Asha ◽  
G. Venkateshappa ◽  
P. Raghavendrakumar ◽  
B.S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 350.2°. The dihedral angle between the planes of the aromatic rings is 47.74 (10)°. In the crystal, molecules are linked by C—H...O hydrogen bonds to generate [010] chains.

scholarly journals Crystal structure of 1-benzylsulfonyl-1,2,3,4-tetrahydroquinoline

2015 ◽  
Vol 71 (4) ◽  
pp. o249-o250 ◽  
Author(s):  
S. Jeyaseelan ◽  
B. R. Sowmya ◽  
G. Venkateshappa ◽  
P. Raghavendra Kumar ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 354.6°. The dihedral angle between the planes of the aromatic rings is 74.15 (10)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, generatingC(8) andC(4) chains propagating along [100] and [010], respectively, which together generate (001) sheets.

scholarly journals Crystal structure of diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonateN,N-dimethylformamide monosolvate

2014 ◽  
Vol 70 (9) ◽  
pp. o919-o920
Author(s):  
Qing-Ming Wang ◽  
Ming-Juan Zhu ◽  
Jin-Ming Yang ◽  
Shan-Shan Wang ◽  
Yan-Fang Shang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Double Layers ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C17H21ClNO4P·C3H7NO, the dihedral angle formed by the aromatic rings is 83.98 (7)°. In the crystal, O—H...O, N—H...O and C—H...O hydrogen bonds link the molecules into double layers parallel to (011).

scholarly journals Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o270-o271 ◽  
Author(s):  
J. Mohana ◽  
M. Divya Bharathi ◽  
G. Ahila ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carboxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H...N and C—H...O interactions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

scholarly journals Structure of 7-hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4H-chromen-4-one

2017 ◽  
Vol 73 (8) ◽  
pp. 1130-1134
Author(s):  
John Nicolson Low ◽  
Ligia R. Gomes ◽  
Alexandra Gaspar ◽  
Fernanda Borges
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Starting Material ◽  
Pyran Ring ◽  
Synthesis And Crystal Structure

Herein, the synthesis and crystal structure of 7-hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4H-chromen-4-one, C17H11F3O4, are reported. This isoflavone is used as a starting material in the preparation an array of potent and competitive FPR antagonists. The pyran ring significantly deviates from planarity and the dihedral angle between the benzopyran mean plane and that of the exocyclic benzene ring is 88.18 (4)°. In the crystal, O—H...O hydrogen bonds connect the molecules into C(8) chains propagating in the [010] direction.

scholarly journals PhenylN-phenylcarbamate

2009 ◽  
Vol 65 (6) ◽  
pp. o1363-o1363 ◽  
Author(s):  
Durre Shahwar ◽  
M. Nawaz Tahir ◽  
M. Sharif Mughal ◽  
Muhammad Akmal Khan ◽  
Naeem Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Polymeric Chains

In the title compound, C13H11NO2, the aromatic rings are oriented at a dihedral angle of 42.52 (12)°. The crystal structure is stabilized by intermolecular N—H...O hydrogen bonds, which form infinite one-dimensional polymeric chains extending along theaaxis. C—H...π interactions between the aromatic rings are also present.

3-(Trifluoromethyl)anilinium 2-carboxy-4,5-dichlorobenzoate

2007 ◽  
Vol 63 (11) ◽  
pp. o4374-o4375 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Aromatic Rings ◽  
Compound C ◽  
A Chain

The crystal structure of the title compound, C7H7F3N+·C8H3Cl2O4 −, is stabilized by five N—H...O, one O—H...O, two C—H...O and three C—H...X (X = F, Cl) hydrogen bonds. Intramolecular O—H...O and C—H...X hydrogen bonds generate edge-fused [S(7)R 4 4(24)S(7)R 2 2(10)S(7)R 4 4(24)S(7)] motifs. The cations and anions are linked to each other by C—H...O hydrogen bonds, forming a chain along the c axis. This chain and the other hydrogen bonds form [R 3 2(6)R 1 2(4)S(7)R 1 2(4)R 4 4(18)R 5 5(24)R 4 4(18)R 1 2(4)R 1 2(4)S(7)R 1 2(4)R 3 2(6)] motifs. The dihedral angle between the planes of the aromatic rings in the cation and anion is 34.86 (1)°.

scholarly journals Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from Nectandra leucantha Nees and Mart (Lauraceae)

2018 ◽  
Vol 74 (4) ◽  
pp. 518-521
Author(s):  
Simone S. Grecco ◽  
Gerold Jerz ◽  
Joao Henrique G. Lago ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methyl Ether ◽  
Title Compound ◽  
Side Chains ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Torsion Angles ◽  
Compound C

In the title compound, C21H24O4 (systematic name: 4,5′-diallyl-2,2′,3′-trimethoxydiphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96 (2)°]. The allyl side chains show similar configurations, with Car—C—C=C (ar = aromatic) torsion angles of −123.62 (12) and −115.54 (12)°. A possible weak intramolecular C—H...O interaction is observed. In the crystal, molecules are connected by two C—H...O hydrogen bonds, forming undulating layers lying parallel to the bc plane. Weak C—H...π and π–π stacking interactions also occur.

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