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 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 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.

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 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 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 (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 3-amino-1-(4-hydroxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

2015 ◽  
Vol 71 (8) ◽  
pp. o536-o537
Author(s):  
Mehmet Akkurt ◽  
Peter N. Horton ◽  
Sabry H. H. Younes ◽  
Shaaban K. Mohamed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Boat Conformation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C20H14N2O2, the hydroxybenzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 85.56 (4)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular layer in thebcplane; N—H...π interactions also contribute to this arrangement. The layers are linked by weak by C—H...π and π–π [inter-centroid separation = 3.8713 (7) Å] interactions.

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 1,2-Bis(1H-tetrazol-5-yl)benzene dihydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1331-o1331 ◽  
Author(s):  
Hai-Jun Xu ◽  
Yi-Jie Pan ◽  
Li-Jing Cui
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Tetrazole Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C8H6N8·2H2O, contains one half-molecule, with the benzene ring on a centre of symmetry, and two uncoordinated water molecules. The benzene ring is oriented at a dihedral angle of 34.43 (12)° with respect to the tetrazole ring. Strong O—H...N hydrogen bonds link the water molecules to the N atoms of the tetrazole ring. In the crystal structure, strong intermolecular O—H...O and O—H...N hydrogen bonds link the molecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.

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