scholarly journals Crystal structure of fluroxypyr

2016 ◽  
Vol 72 (12) ◽  
pp. 1836-1838
Author(s):  
Hyunjin Park ◽  
Myong Yong Choi ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Pyridyl Ring ◽  
Ring Plane ◽  
Dimensional Network ◽  
The Mean ◽  
Ring Centroid

In the title pyridine herbicide {systematic name: 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid}, C7H5Cl2FN2O3, the mean plane of the carboxylic acid substituent and the pyridyl ring plane subtend a dihedral angle of 77.5 (1)°. In the crystal, pairs of O—H...O hydrogen bonds form inversion dimers withR22(8) ring motifs. These are extended into chains along [011] by N—H...F hydrogen bonds. In addition, intermolecular N—H...O hydrogen bonds and weak π–π interactions [ring centroid separation = 3.4602 (9) Å] connect these chains into a three-dimensional network.

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.

scholarly journals 2-(1H-Tetrazol-1-yl)acetic acid monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2561-o2561
Author(s):  
Wen-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Acid Group ◽  
Two Dimensional ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, C3H4N4O2·H2O, exhibits O—H...O and O—H...N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to thebcplane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

scholarly journals Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol

2015 ◽  
Vol 71 (7) ◽  
pp. o492-o493
Author(s):  
A. J. Ravi ◽  
A. C. Vinayaka ◽  
S. Jeyaseelan ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C18H15NO3, the isoxazole moiety adopts a shallow envelope conformation, with the C atom bearing the OH group displaced by 0.148 (1) Å from the mean plane through the other four atoms. The mean plane of this ring (all atoms) subtends dihedral angles of 87.19 (6) and 15.51 (7)° with the benzofuran ring system (r.m.s. deviation = 0.007 Å) and the 4-methylphenyl ring, respectively. In the crystal, molecules are linked by O—H...N hydrogen bonds, generating [001]C(5) chains, with adjacent molecules in the chain related byc-glide symmetry. Weak C—H...O interactions link the chains into a three-dimensional network.

5-Fluorouracil-1-acetic acid

2006 ◽  
Vol 62 (4) ◽  
pp. o1504-o1506 ◽  
Author(s):  
Jian-Qiang Qu ◽  
Ling Qu ◽  
Xiao-Fei Jia
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Acid Group ◽  
Compound C ◽  
Dimensional Network

In the title compound, C6H5FN2O4, the acetic acid group lies out of the pyrimidine plane. In the crystal structure, molecules are connected by intermolecular N—H...O, O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 5-chloro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2015 ◽  
Vol 71 (8) ◽  
pp. o621-o622
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Halogen Bonds ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean

In the title compound, C15H10ClFO2S, the dihedral angle between the mean planes of the benzofuran ring [r.m.s. deviation = 0.007 (1) Å] and the 2-fluorophenyl ring is 32.53 (5)°. In the crystal, molecules related by inversion are paired into dimersviatwo different C—H...O hydrogen bonds. Further, Cl...O halogen bonds [3.114 (1) Å], and F...π [F-to-furan-centroid distance = 3.109 (1) Å] and S...F [3.1984 (9) Å] interactions link these into a three-dimensional network.

scholarly journals Crystal structure of oxamyl

2016 ◽  
Vol 72 (12) ◽  
pp. 1816-1818 ◽  
Author(s):  
Eunjin Kwon ◽  
Ki-Min Park ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Independent Molecules

The title compound, C7H13N3O3S [systematic name: (Z)-methyl 2-dimethylamino-N-(methylcarbamoyloxy)-2-oxoethanimidothioate], is an oxime carbamate acaride, insecticide and nematicide. The asymmetric unit comprises two independent molecules,AandB. The dihedral angles between the mean planes [r.m.s. deviations = 0.0017 (A) and 0.0016 Å (B)] of the acetamide and oxyimino groups are 88.80 (8)° forAand 87.05 (8)° forB. In the crystal, N/C—H...O hydrogen bonds link adjacent molecules, forming chains along theaaxis. The chains are further linked by C—H...O hydrogen bonds, resulting in a three-dimensional network with alternating rows ofAandBmolecules in thebcplane stacked along thea-axis direction. The structure was refined as an inversion twin with a final BASF parameter of 0.16 (9).

scholarly journals Crystal structure of 2-nitro-N-(2-nitrophenyl)benzamide

2015 ◽  
Vol 71 (6) ◽  
pp. o389-o390 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Alexis Azcárate ◽  
Alan R. Kennedy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment

In the title compound, C13H9N3O5, the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0442 Å] forms dihedral angles of 71.76 (6) and 24.29 (10)° with the C-bonded and N-bonded benzene rings, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds formingC(4) chains along [100]. Weak C—H...O contacts link the molecules into (100) sheets containing edge-fusedR44(30) rings. Together, the N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

The structural properties of a noncentrosymmetric polymorph of 4-aminobenzoic acid

2014 ◽  
Vol 70 (3) ◽  
pp. 323-325 ◽  
Author(s):  
Rim Benali-Cherif ◽  
Radhwane Takouachet ◽  
El-Eulmi Bendeif ◽  
Nourredine Benali-Cherif
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
The Other ◽  
Aminobenzoic Acid ◽  
Ring Plane ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Benzene Ring Plane

The crystal structure of a polymorph of 4-aminobenzoic acid (PABA), C7H7NO2, at 100 K is noncentrosymmetric, as opposed to centrosymmetric in the structures of the other known polymorphs. The two crystallographically independent PABA molecules form pseudocentrosymmetric O—H...O hydrogen-bonded dimers that are further linked by N—H...O hydrogen bonds into a three-dimensional network. The benzene rings stack in thebdirection. The CO2moieties are bent out slightly from the benzene ring plane.

scholarly journals Crystal structure of 1H-imidazol-3-ium 2-(1,3-dioxoisoindolin-2-yl)acetate

2014 ◽  
Vol 70 (9) ◽  
pp. o979-o980 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Herman Potgieter ◽  
Muizz Ali
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Π Interactions ◽  
Dimensional Network ◽  
Aqueous Conditions

The title salt, C3H5N2+·C10H6NO4−, was obtained during a study of the co-crystallization ofN′-[bis(1H-imidazol-1-yl)methylene]isonicotinohydrazide with (1,3-dioxoisoindolin-2-yl)acetic acid under aqueous conditions. The 1,3-dioxoisoindolinyl ring system of the anion is essentially planar [maximum deviation = 0.023 (2) Å]. In the crystal, cations and anions are linkedviaclassical N—H...O hydrogen bonds and weak C—H...O hydrogen bonds, forming a three-dimensional network. Weak C—H...π interactions and π–π stacking interactions [centroid–centroid distances = 3.4728 (13) and 3.7339 (13) Å] also occur in the crystal.

Bis(4-ethylanilinium) 4,5-dichlorophthalate

2007 ◽  
Vol 63 (11) ◽  
pp. o4376-o4377 ◽  
Author(s):  
Orhan Büyükgüngör ◽  
Mustafa Odabaşoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Carboxylate Groups ◽  
Dimensional Network

The crystal structure of the title compound, 2C8H12N+·C8H3Cl2O4 2−, is stabilized by nine N—H...O and four C—H...O hydrogen bonds, and also by C—H...π interactions. Intramolecular C—H...O hydrogen bonds form C(6) chains along the c axis. This chain and the other hydrogen bonds generate edge-fused [R 1 2(6)R 1 2(4)R 4 3(10)R 1 2(4)R 3 2(9)] motifs in a three-dimensional network. The dihedral angles between the carboxylate anion and the cation aromatic ring planes are 75.90 (2) and 68.15 (2)°, and the dihedral angles between the carboxylate groups and the anion aromatic ring plane are 13.72 (3) and 84.64 (3)°.

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