scholarly journals Crystal structure of cyprodinil

2015 ◽  
Vol 71 (1) ◽  
pp. o5-o5 ◽  
Author(s):  
Youngeun Jeon ◽  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Phenyl Ring ◽  
Cyclopropane Ring ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C14H15N3(systematic name: 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine), which is the anilinopyrimidine fungicide cyprodinil, the dihedral angles between the planes of the central pyrimidine ring and the terminal phenyl ring and the mean plane of the cyclopropane ring system are 14.52 (11) and 88.79 (10)°, respectively. In the crystal, weak π–π interactions [3.8551 (11) Å] connect the dimers into chains along theb-axis direction.

scholarly journals Crystal structure ofN1-phenyl-N4-[(E)-(pyren-1-yl)methylidene]benzene-1,4-diamine

2015 ◽  
Vol 71 (3) ◽  
pp. 261-263 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Elena V. Prisyazhnaya
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C29H20N2, the dihedral angles subtended by the centralp-phenylenediamine ring with respect to the mean plane of the terminal pyrenyl ring system (r.m.s. deviation = 0.027 Å) and the terminalN-phenyl ring are 29.34 (4) and 43.43 (7)°, respectively. The conformation about the C=N bond isE. In the crystal, molecules are linked by N—H...π and C—H...π interactions forming chains propagating along the [10-2] direction. These chains are linkedviaπ–π interactions [inter-centroid distances are in the range 3.5569 (11)–3.708 (1) Å], forming slabs lying parallel to (30-4).

scholarly journals Crystal structure of dimethyl 9H-carbazole-2,7-dicarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o784-o785
Author(s):  
Ryan L. Lehane ◽  
James A. Golen ◽  
Arnold L. Rheingold ◽  
David R. Manke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Mean Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C16H13NO4, the carbazole ring system is almost planar with non-H atoms possessing a mean deviation from planarity of 0.037 Å. The two ester groups are orientatedtransto one another and tilted slightly from the mean plane of the carbazole ring system, making dihedral angles of 8.12 (6) and 8.21 (5)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds forming inversion dimers. The dimers are linked by parallel slipped π–π interactions, forming slabs propagating along theb-axis direction [inter-centroid distance = 3.6042 (8) Å, inter-planar distance = 3.3437 (5) Å, slippage = 1.345 Å].

scholarly journals N-(3-Chloro-4-ethoxy-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (6) ◽  
pp. o679-o679 ◽  
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Abdellah Hannioui ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Ethoxy Group ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

The indazole ring system of the title compound, C17H18ClN3O4S, is almost planar (r.m.s. deviation = 0.0113 Å) and forms dihedral angles of 32.22 (8) and 57.5 (3)° with the benzene ring and the mean plane through the 4-ethoxy group, respectively. In the crystal, molecules are connected by pairs of N—H...O hydrogen bonds into inversion dimers, which are further linked by π–π interactions between the diazole rings [intercentroid distance = 3.4946 (11) Å], forming chains parallel to [101].

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

scholarly journals Crystal structure of 1-methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (12) ◽  
pp. o1281-o1281 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Dimensional Structure ◽  
Mirror Plane ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C

In the title compound, C7H8N4S, the non-H atoms of the pyrazolo[3,4-d]pyrimidine ring system and the methylsulfanyl group lie on a crystallographic mirror plane. In the crystal, molecules are linkedviaa number of π–π interactions [centroid–centroid distances vary from 3.452 (7) to 3.6062 (8) Å], forming a three-dimensional structure.

scholarly journals Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (9) ◽  
pp. o1038-o1038 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Graph Set

In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) graph-set motif.

scholarly journals 6-Chloro-2-phenyl-3-(2-phenylethynyl)quinoxaline

2012 ◽  
Vol 68 (6) ◽  
pp. o1741-o1741 ◽  
Author(s):  
Xi-Lin Ouyang ◽  
Miao Ouyang ◽  
Shi-Wen Huang
Keyword(s):  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings ◽  
Quinoxaline Ring

In the title compound, C22H13ClN2, the quinoxaline ring system is close to planar [maximum deviation = 0.061 (2) Å]. The phenyl ring at the 2-position and the phenyl ring of the phenylethynyl substituent make dihedral angles of 49.32 (7) and 11.99 (7) °, respectively, with the quinoxaline mean plane. The two phenyl rings are inclined to one another by 61.27 (9)°. In the crystal, molecules are linked by C—H...π and π–π interactions [centroid–centroid distances = 3.6210 (12) and 3.8091 (12) Å].

scholarly journals Crystal structure oftrans-1-{2-[4-(dimethylamino)phenyl]ethyl}-4-[2-(pyren-1-yl)ethyl]cyclohexane

2015 ◽  
Vol 71 (8) ◽  
pp. o629-o630
Author(s):  
Sreevidya Thekku Veedu ◽  
Simone Techert
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Twin Domain ◽  
Compound C ◽  
The Mean

The title compound, C34H37N, is a pyrene derivative in which the pyrene ring system is linked to an ethylcyclohexane unit which, in turn, carries a [4-(dimethylamino)phenyl]ethyl substituent in theparaposition. The central cyclohexane ring has a chair conformation, with the exocyclic C—C bonds in equatorial orientations. The benzene ring is inclined to the mean plane of the pyrene ring system [maximum deviation = 0.038 (4) Å] by 14.84 (15)°. In the crystal, molecules are linked by C—H...π interactions, forming chains propagating along [010]. The crystal was refined as a non-merohedral twin [domain ratio = 0.9989 (4):0.0011 (4)].

scholarly journals Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate

2015 ◽  
Vol 71 (11) ◽  
pp. o872-o872
Author(s):  
Marie-Luis Schirmer ◽  
Anke Spannenberg ◽  
Thomas Werner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Wittig Reaction ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through thecisandtransethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to thebaxis by C—H...O hydrogen bonds.

scholarly journals (2-Hydroxyphenyl)(4,2′:4′,4′′-terpyridin-6′-yl)methanone

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
S. Devika ◽  
Noor Shahina Begum ◽  
Kiran B. Manjappa ◽  
Ding-Yah Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Central Ring ◽  
Pyridine Ligands ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
The Mean

The title compound, C22H15N3O2, can be described as a ketone with a phenol substituent and a terpyridine ligand coordinated to the carbonyl group. The three six-membered rings of the terpyridine ligand are not coplanar. The dihedral angles between the mean planes of the central ring and the external pyridine ligands are 22.77 (9) and 26.77 (7)°. The central ring of the terpyridine ligand is also not coplanar with the o-hydroxy phenyl ring, the dihedral angle being 39.72 (5)°. An intramolecular O—H...O hydrogen bond occurs. The crystal structure of the title compound is consolidated by C—H...O and C—H...N hydrogen bonding interactions.

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