scholarly journals Crystal structure of fenbuconazole

2015 ◽  
Vol 71 (9) ◽  
pp. o680-o681
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C

In the title compound, C19H17ClN4[systematic name: (RS)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chlorophenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively. The C—C—C—C linkage between the tertiary C atom and the benzene ring has anantiorientation [torsion angle = 174.47 (12)°]. In the crystal, C—H...N hydrogen bonds and very weak C—Cl...π interactions [Cl...π = 3.7892 (9) Å] link adjacent molecules, forming two-dimensional networks lying parellel to the (101) plane. The planes are linked by weak π–π interactions [centroid–centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.

scholarly journals Crystal structure ofN-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide

2016 ◽  
Vol 72 (1) ◽  
pp. 60-62 ◽  
Author(s):  
Ying Liang ◽  
Li-Qiao Shi ◽  
Zi-Wen Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C19H13ClF2N2O2, the conformation of the N—H bond in the amide segment isantito the C=O bond. The molecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35 (7) and 81.26 (6)°, respectively. A weak intramolecular C—H...O hydrogen bond occurs. In the crystal, N—H...N, C—H...O and C—H...F hydrogen bonds lead to the formation of dimers. The N—H...N inversion dimers are linked by π–π contacts between adjacent pyridine rings [centroid–centroid = 3.8541 (12) Å] and C—H...π interactions. These contacts combine to stack the molecules along theaaxis.

scholarly journals Crystal structure ofN,N′-(1,2-phenylene)bis(2-chloroacetamide)

2015 ◽  
Vol 71 (2) ◽  
pp. o108-o108 ◽  
Author(s):  
Javaria Tariq ◽  
Shahzad Murtaza ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Zaheer
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Secondary Amide ◽  
Two Dimensional ◽  
Compound C ◽  
Amide Carbonyl ◽  
Ring Motif

In the title compound, C10H10Cl2N2O2, the secondary amide groups are differently twisted relative to the benzene ring, with dihedral angles between the respective planes of 21.03 (2) and 81.22 (2)°. In the crystal, the molecules are connected by N—H...O and C—H...O hydrogen bonds, forming a two-dimensional polymeric network parallel to (001). One of the amide carbonyl O atoms accepts two H atoms in N—H...O and C—H...O interactions, forming anR22(6) ring motif.

scholarly journals N′-[(E)-4-Chlorobenzylidene]-2-(2,3-dimethylanilino)benzohydrazide

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Evan M. Dunkley ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Π Interactions ◽  
Compound C

In the title compound, C22H20ClN3O, the dihedral angle between the planes of the chlorophenyl and dimethylphenyl rings is 66.50 (9)°. These rings make dihedral angles 47.79 (8) and 69.24 (9)°, respectively, with the central benzene ring. In the crystal, molecules are linked into a three-dimensional supramolecular network by N—H...O, C—H...O hydrogen bonds and weak C—H...π interactions.

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 Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide

2017 ◽  
Vol 73 (10) ◽  
pp. 1530-1533
Author(s):  
Khairi Suhud ◽  
Siti Aishah Hasbullah ◽  
Musa Ahmad ◽  
Lee Yook Heng ◽  
Mohammad B. Kassim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Piperidine Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3)°. The central N—C(=S)—N(H)—C(=O) bridge is twisted with an N—C—N—C torsion angle of 74.8 (6)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming chains along thec-axis direction. Adjacent chains are linked by C—H...π interactions, forming layers parallel to theacplane. The layers are linked by offset π–π interactions [intercentroid distance = 3.927 (3) Å], forming a supramolecular three-dimensional structure.

scholarly journals 4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2376-o2377
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C17H17BrN2O, the N-containing ring adopts an envelope conformation with the C atom carrying the phenyl ring displaced by −0.531 (9) Å from the plane defined by the remaining five atoms (r.m.s. deviation = 0.0099 Å). The benzene ring is almost orthogonal to the ring to which it is attached, the CCN—C—CPh—CPhtorsion angle being −101.3 (7)°. The cyclohexene ring is disordered over two conformations in a statistical ratio. The most prominent interactions in the crystal are pairs of N—H...O hydrogen bonds between inversion-related molecules. The resulting dimers are linked into a three-dimensional architecture by C—H...N, C—H...Br and C—H...π interactions.

scholarly journals 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1768-o1769
Author(s):  
Nasser R. El-Brollosy ◽  
Mohamed I. Attia ◽  
Ali A. El-Emam ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Ethylene Bond

In the title compound, C20H20N2O3, the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethylene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C—C—C— torsion angle = −48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N—H...O hydrogen bonds between the amide groups which lead to eight-membered {...HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H...O, C—H...π and π–π interactions [centroid–centroid distances = 3.5087 (8) and 3.5645 (9) Å].

scholarly journals Crystal structure and Hirshfeld analysis of diethyl (2E,2′E)-3,3′-[1-(8-phenylisoquinolin-1-yl)-1H-indole-2,7-diyl]diacrylate

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Xue-Jun Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Ethyl Acrylate ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Hirshfeld Analysis

The molecule of title compound, C33H28N2O4, comprises an indole unit (A), an isoquinoline moiety (B) and a benzene ring (C). The dihedral angles between these groups are A/B = 57.47 (1), A/C = 18.48 (1) and B/C = 57.97 (1) °. The ethyl acrylate group at the 2-position is nearly co-planar with the indole unit [3.81 (2)°], while that at the 7-position is distinctly non-coplanar [52.64 (1)°]. Intramolecular π–π interactions between the indole unit and benzene ring help to establish the clip-shaped conformation of the molecule. In the crystal, the molecules are assembled into two-dimensional layers via C—H...O hydrogen bonds, π–π and C—H...π interactions. Hirshfeld surface analysis illustrates that the greatest contributions are from H...H (63.2%), C...H/H...C (15.4%) and O...H/H...O (14.8%) contacts. The terminal C2H5 group of one of the ethyl acrylate side chains is disordered over two positions of equal occupancy.

scholarly journals Crystal structure of dimethomorph

2015 ◽  
Vol 71 (9) ◽  
pp. o654-o654
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C21H22ClNO4[systematic name: (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chlorophenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively. In the crystal, molecules are linkedviaC—H...O hydrogen bonds and weak Cl...π interactions [3.8539 (11) Å], forming a three-dimensional structure.

scholarly journals Crystal structure of 2-(4-fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole

2015 ◽  
Vol 71 (4) ◽  
pp. o229-o230
Author(s):  
Muniyappan Govindhan ◽  
Kathavarayan Subramanian ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Planar Conformation

The title compound, C20H15FN2O2, adopts an almost planar conformation. The oxadiazole ring makes dihedral angles of 13.90 (1) and 7.93 (1)° with the naphthalene ring system and benzene ring, respectively, while the naphthalene ring system and benzene ring are inclined to one another by 6.35 (1)°. In the crystal, adjacent molecules are linkedviaC—H...N hydrogen bonds, forming chains propagating along [100]. There are also π–π interactions present [intercentroid distances = 3.5754 (9) and 3.7191 (12) Å], linking the chains to form ribbons lying parallel to (011).

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