scholarly journals Synthesis and crystal structure of tert-butyl 1-(2-iodobenzoyl)cyclopent-3-ene-1-carboxylate

2019 ◽  
Vol 75 (9) ◽  
pp. 1383-1385
Author(s):  
Dejing Yin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Synthesis And Crystal Structure ◽  
Tert Butyl ◽  
The Mean

1-(2-Iodobenzoyl)-cyclopent-3-ene-1-carboxylates are novel substrates to construct bicyclo[3.2.1]octanes with antibacterial and antithrombotic activities. In this context, tert-butyl 1-(2-iodobenzoyl)-cyclopent-3-ene-1-carboxylate, C17H19IO3, was synthesized and structurally characterized. The 2-iodobenzoyl group is attached to the tertiary C atom of the cyclopent-3-ene ring. The dihedral angle between the benzene ring and the mean plane of the envelope-type cyclopent-3-ene ring is 26.0 (3)°. In the crystal, pairs of C-H...O hydrogen bonds link the molecules to form inversion dimers.

scholarly journals Crystal structure of tolylfluanid

2014 ◽  
Vol 70 (10) ◽  
pp. o1114-o1115
Author(s):  
Seonghwa Cho ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dimethylamino Group ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Cl Atom

The title compound, C10H13Cl2FN2O2S2{systematic name:N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the dichlorofluoromethylthio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C—H...Cl hydrogen bonds link adjacent molecules, forming dimers withR22(14) loops. C—H...O hydrogen bonds link pairs of dimers into chains along theb-axis direction. These chains are joined by an additional C—H...O contact, generating a sheet in theabplane.

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 Crystal structure of 6-amino-4-(3-bromo-4-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile dimethyl sulfoxide monosolvate

2015 ◽  
Vol 71 (7) ◽  
pp. o453-o454 ◽  
Author(s):  
Sammer Yousuf ◽  
Huma Bano ◽  
Munira Taj Muhammad ◽  
Khalid Mohammed Khan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Pyrazole Ring ◽  
Ring System ◽  
The Mean

In the pyrazole molecule of the title solvate, C15H13BrN4O2·C2H6OS, the dihedral angle between the benzene ring and the mean plane of the dihydropyrano[2,3-c]pyrazole ring system [r.m.s deviation = 0.031 (2) Å] is 86.71 (14)°. In the crystal, the pyrazole molecules are linked by N—H...N hydrogen bonds, forming a layer parallel to (10-1). The pyrazole and dimethyl sulfoxide molecules are connected by an N—H...O hydrogen bond.

scholarly journals Crystal structure of diethyl 3,3′-[(4-nitrophenyl)methylene]bis(1H-indole-2-carboxylate)

2017 ◽  
Vol 73 (12) ◽  
pp. 1956-1958
Author(s):  
Hong-Shun Sun ◽  
Yu-Long Li ◽  
Hong Jiang ◽  
Yu-Liang Chen ◽  
Ya-Di Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C29H25N3O6, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0115 and 0.0082 Å) are approximately perpendicular to one another, making a dihedral angle of 89.7 (5)°; the benzene ring is twisted with respect to the two indole ring systems by 52.6 (4) and 88.2 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into the inversion dimers, which are further linked into supramolecular chains along theb-axis direction. Weak C—H...O hydrogen bonds and C—H...π interactions are also observed in the crystal.

scholarly journals 3-Chloro-N-cyclohexylbenzamide

2009 ◽  
Vol 65 (6) ◽  
pp. o1265-o1265
Author(s):  
M. Khawar Rauf ◽  
Michael Bolte ◽  
Amin Badshah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Ring Plane ◽  
Benzene Ring Plane ◽  
The Mean ◽  
Title Molecule

In the title molecule, C13H16ClNO, the mean plane of the atoms in the –CONH– group forms a dihedral angle of 42.0 (4)° with the benzene ring plane. In the crystal structure, molecules are linked by intermolecular N—H...O hydrogen bonds, generatingC(4) chains along [100].

scholarly journals Crystal structure of 4-bromo-N-(2-hydroxyphenyl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1261-o1262 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Vanessa Melo ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C ◽  
The Mean

In the title compound, C13H10BrNO2, the mean plane of the non-H atoms of the central amide C—N—C(=O)—C fragment (r.m.s. deviation = 0.004 Å) forms a dihedral angle of 73.97 (12)° with the hydroxy-substituted benzene ring and 25.42 (19)° with the bromo-substituted benzene ring. The two aromatic rings are inclined to one another by 80.7 (2)°. In the crystal, molecules are linked by O—H...O and N—H...O hydrogen bonds, forming chains along [010]. The chains are linked by weak C—H...O hydrogen bonds, forming sheets parallel to (100), and enclosingR33(17) andR32(9) ring motifs.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (4) ◽  
pp. 424-426
Author(s):  
Peter Mangwala Kimpende ◽  
Ngoc Thanh Nguyen ◽  
Minh Thao Nguyen ◽  
Quoc Trung Vu ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Planar Conformation ◽  
The Mean

In the title compound, C20H17NO5, the dihedral angle between the mean plane of the dihydroquinoline ring system (r.m.s. deviation = 0.003 Å) and the benzene ring is 1.83 (11)°. The almost planar conformation is a consequence of an intramolecular O—H...O hydrogen bond and theEconfiguration about the central C=C bond. In the crystal structure, O—H...O hydrogen bonds generate chains of molecules along the [10-1] direction. These chains are linkedviaπ–π interactions [inter-centroid distances are in the range 3.6410 (16)–3.8663 (17) Å].

scholarly journals Crystal structure of 1-(2,4-dimethylphenyl)urea

2015 ◽  
Vol 71 (1) ◽  
pp. o60-o61 ◽  
Author(s):  
L. Jayalakshmi ◽  
C. Ramalingan ◽  
B. Sridhar ◽  
S. Selvanayagam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Two Dimensional ◽  
Urea Derivative ◽  
Urea Group ◽  
The Mean ◽  
Ring Motif

In the title urea derivative, C9H12N2O, the dihedral angle between the benzene ring and the mean plane of the urea group, N—C(=O)—N, is 86.6 (1)°. In the crystal, the urea O atom is involved in three N—H...O hydrogen bonds. Molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linked by further N—H...O hydrogen bonds, forming two-dimensional networks lying parallel to (100).

scholarly journals Crystal structure of 4-tert-butyl-2-{2-[N-(3,3-dimethyl-2-oxobutyl)-N-isopropylcarbamoyl]phenyl}-1-isopropyl-1H-imidazol-3-ium perchlorate

2015 ◽  
Vol 71 (2) ◽  
pp. 223-225
Author(s):  
Olga V. Hordiyenko ◽  
Roman I. Zubatyuk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Organic Cation ◽  
Positive Charge ◽  
Imidazole Ring ◽  
Tert Butyl

In the title salt, C26H40N3O2+·ClO4−, the positive charge of the organic cation is delocalized between the two N atoms of the imidazole ring. The C...;N bond distances are 1.338 (2) and 1.327 (3) Å. The substituents on the benzene ring are rotated almost orthogonal with respect to this ring due to the presence of the bulky isopropyl substituents. The dihedral angle between the benzene and imidazole rings is 75.15 (12)°. Three of the O atoms of the anion are disordered over two sets of sites due to rotation around one of the O—Cl bonds. The ratio of the refined occupancies is 0.591 (14):0.409 (14). In the crystal, the cation and perchlorate anion are bound by an N—H...O hydrogen bond. In addition, the cation–anion pairs are linked into layers parallel to (001) by multiple weak C—H...O hydrogen bonds.

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

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