scholarly journals Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Shailesh K. Goswami ◽  
Lyall R. Hanton ◽  
C. John McAdam ◽  
Stephen C. Moratti ◽  
Jim Simpson
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring Plane ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Ring Plane ◽  
Methyl Propanoate

In the title compound, C15H22O4, the fully substituted benzene ring carries a methyl propanoate, two methoxy and three methyl substituents. Both methoxy substituents are almost orthogonal to the benzene ring plane. The methyl propanoate group is almost planar, r.m.s. deviation 0.0138 Å, and is inclined to the benzene ring plane by 80.26 (14)°. In the crystal, C—H...O hydrogen bonds form head-to-tail chains of molecules along theb-axis direction that are supported by very weak C—H...π(ring) contacts.

scholarly journals Diafenthiuron: 1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea

2014 ◽  
Vol 70 (7) ◽  
pp. o807-o807
Author(s):  
Youngeun Jeon ◽  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Tae Ho Kim
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring Plane ◽  
Isopropyl Group ◽  
Compound C ◽  
Benzene Ring Plane ◽  
Thiourea Group

The title compound, C23H32N2OS, is a thiourea-based insecticide. The dihedral angle between the phenyl ring and the diisopropyl benzene ring plane is 73.18 (6)°, while that between the plane of the thiourea group and the diisopropyl benzene ring is 86.00 (5)°. Disorder was modelled for the S atom and the two methyl C atoms of the isopropyl group over two sets of sites with an occupancy ratio of 0.742 (4):0.258 (4). In the crystal, N—H...S hydrogen bonds link adjacent molecules, formingR22(8) inversion dimers that pack into chains along theb-axis direction.

scholarly journals 2-(2-Chlorophenyl)acetic acid

2012 ◽  
Vol 68 (6) ◽  
pp. o1940-o1940
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
B. Narayana
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Carboxyl Group ◽  
Ring Plane ◽  
Compound C ◽  
Benzene Ring Plane

In the title compound, C8H7ClO2, the carboxyl group forms a dihedral angle of 74.83 (9)° with the benzene ring plane. In the crystal, molecules are linked into inversion dimers by pairs of O—H...O hydrogen bonds. The dimers are linked into layers parallel to the bc plane by weak C—H...O interactions.

scholarly journals 1-(2-Bromo-4-chlorophenyl)-3,3-dimethylthiourea

2014 ◽  
Vol 70 (6) ◽  
pp. o704-o704 ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammad Hayal Alotaibi ◽  
Benson M. Kariuki
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring Plane ◽  
Amino Groups ◽  
Compound C ◽  
Benzene Ring Plane

In the title compound, C9H10BrClN2S, the dimethylthiourea group is twisted from the benzene ring plane by 54.38 (6)°. In the crystal, the amino groups are involved in the formation of N—H...S hydrogen bonds, which link the molecules into chains along [010]. Weak C—H...Cl interactions further link these chains into layers parallel to theabplane.

scholarly journals 4-Fluoro-N-(4-hydroxybenzylidene)aniline

2014 ◽  
Vol 70 (8) ◽  
pp. o860-o860
Author(s):  
L. Jothi ◽  
G. Anuradha ◽  
G. Vasuki ◽  
R. Ramesh Babu ◽  
K. Ramamurthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases withN-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H...N and C—H...F hydrogen bonds lead to the formation of chains along thec-andb-axis directions, respectively. C—H...π contacts link molecules alongaand these contacts combine to generate a three-dimensional network with molecules stacked along theb-axis direction.

scholarly journals 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Jaqueline Evangelista Queiroz ◽  
Giuliana Muniz Vila Verde ◽  
Mariette Miguens Pereira ◽  
Manuela Ramos Silva ◽  
Gilberto L. B. Aquino
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Microwave Assisted ◽  
Compound C ◽  
The Mean

In the title compound, C18H18O3, a dihydrocoumarin synthesizedviaa microwave-assisted hydroarylation reaction, the 4-methoxyphenyl ring is inclined to the mean plane of the coumarin moiety by 78.21 (9)°. The pyran ring has a screw-boat conformation and its mean plane is inclined to the fused benzene ring by 13.88 (11)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming ribbons along theb-axis direction. The ribbons are linkedviaC—H...π interactions, forming slabs parallel to theabplane.

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 N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (3) ◽  
pp. o301-o302 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—H...S hydrogen bonds into chains along thea-axis direction. The crystal packing ressembles a herringbone arrangement.

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 Methyl 5-iodo-2-methoxybenzoate

2014 ◽  
Vol 70 (4) ◽  
pp. o462-o462
Author(s):  
Fredrik Lundvall ◽  
David Stephen Wragg ◽  
Pascal D. C. Dietzel ◽  
Helmer Fjellvåg
Keyword(s):  
Benzene Ring ◽  
Title Compound ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Ring Plane ◽  
Compound C ◽  
Benzene Ring Plane

In the title compound, C9H9IO3, the molecules are close to planar [maximum deviation from benzene ring plane = 0.229 (5) Å for the methyl carboxylate C atom] with the methyl groups oriented away from each other. In the crystal, molecules form stacked layers parallel to theabplane, where every layer has either the iodine or methoxy/methyl carboxylate substituents pointing towards each other in an alternating fashion.

scholarly journals Crystal structure of oryzalin

2015 ◽  
Vol 71 (6) ◽  
pp. o429-o429 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Youngeun Jeon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C12H18N4O6S (systematic name: 4-dipropylamino-3,5-dinitrobenzenesulfonamide), is a sulfonamide with herbicidal properties marketed as oryzalin. The dihedral angles between the benzene ring and the mean planes of the nitro groups are 26.15 (11) and 54.80 (9)°. The propyl arms of the dipropylamino substituent lie on opposite sides of this ring plane. In the crystal, N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

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