scholarly journals Crystal structure ofN,N′-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate

2016 ◽  
Vol 72 (10) ◽  
pp. 1503-1508
Author(s):  
Miguel Ángel Claudio-Catalán ◽  
Felipe Medrano ◽  
Hugo Tlahuext ◽  
Carolina Godoy-Alcántar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Ring Centroid ◽  
Supramolecular Chains

The asymmetric unit of the title compound, C56H50N6O8S2·3C6H4Cl2, contains two half-molecules of the parent,AandB, which both have crystallographic inversion symmetry, together with three 2,3-dichlorobenzene molecules of solvation. MoleculesAandBare conformationally similar, with dihedral angles between the central naphthalenediimide ring and the peripheral naphthalene and benzyl rings of 2.43 (7), 81.87 (7)° (A) and 3.95 (7), 84.88 (7)° (B), respectively. The conformations are stabilized by the presence of intramolecular π–π interactions between the naphthalene ring and the six-membered diimide ring of the central naphthalenediimide moiety, with ring centroid-to-centroid distances of 3.5795 (8) Å (A) and 3.5640 (8) Å (B). In the crystal, C—H...O hydrogen bonds link the molecules into infinite supramolecular chains along thecaxis. These chains are interconnected through C—H...π and offset π–π interactions, generating supramolecular nanotubes which are filled by 1,2-dichlorobenzene molecules.

scholarly journals Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. o1216-o1217
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Talaat I. El-Emary ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C

The title compound, C15H14N4O, crystallizes with two molecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first molecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second molecule. In the crystal, the two molecules, together with their inversion-symmetry counterparts, are linked into tetramers by O—H...N hydrogen bonds. The tetramers form layers parallel to (211) through pairwise C—H...π interactions.

scholarly journals Crystal structure of 2,6-bis(2-hydroxy-5-methylphenyl)-4-phenylpyridinium bromide dichloromethane hemisolvate hemihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. o953-o954
Author(s):  
Badma N. Mankaev ◽  
Kirill V. Zaitsev ◽  
Sergey S. Karlov ◽  
Mikhail P. Egorov ◽  
Andrei V. Churakov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Ring Centroid

The asymmetric unit in the structure of the title compound, C25H22NO2+·Br−·0.5CH2Cl2·0.5H2O, comprises two pseudosymmetry-related cations, two bromide anions, a dichloromethane molecule and a water molecule of solvation. The two independent cations are conformationally similar with the comparative dihedral angles between the central pyridine ring and the three benzene substituent rings being 3.0 (2), 36.4 (1) and 24.2 (1)°, and 3.7 (2), 36.5 (1) and 24.8 (1)°, respectively. In the crystal, the cations, anions and water molecules are linked through O—H...O and O—H...Br hydrogen bonds, forming an insular unit. Within the cations there are also intramolecular N—H...O hydrogen bonds. Adjacent centrosymmetrically related aggregates are linked by π–π stacking interactions between the pyridine ring and a benzene ring in both cations [ring-centroid separations = 3.525 (3) and 3.668 (3) Å], forming chains extending across theacdiagonal. Voids between these chains are filled by dichloromethane molecules.

scholarly journals Crystal structure of 2-[(E)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole

2014 ◽  
Vol 70 (9) ◽  
pp. o907-o908 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Alaa A. Hassan ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Thiazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Supramolecular Chains

The asymmetric unit of the title compound, C16H12ClN3S, contains two independent molecules whose conformations differ primarily in the orientations of the phenyl and chlorobenzene rings with respect to the thiazole ring. In the first molecule, the dihedral angles are 3.0 (1) and 9.2 (1)°, respectively, for the phenyl ring and the chlorobenzene ring, while in the second molecule, the corresponding angles are 18.6 (1) and 23.4 (1)°. In the crystal, the two independent molecules are associatedviacomplementary N—H...N hydrogen bonds into a dimer. These dimers are associated through weak C—H...Cl and C—H...S interactions into supramolecular chains propagating along thea-axis direction.

scholarly journals Crystal structure of 1-(2,4-dimethylphenyl)-2-(4-trimethylsilyl-1H-1,2,3-triazol-1-yl)ethanone

2014 ◽  
Vol 70 (12) ◽  
pp. o1253-o1253
Author(s):  
G. B. Venkatesh ◽  
H. Nagarajaiah ◽  
N. L. Prasad ◽  
S. HariPrasad ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C

The asymmetric unit of the title compound, C15H21N3OSi, contains two molecules with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.163 Å). The dihedral angles between the planes of the 1,2,3-triazole and 2,4-dimethylbenzene rings are 27.0 (3) and 19.5 (3)°. In the crystal, molecules are linked by very weak C—H...O and C—H...N hydrogen bonds to generate [100] chains. The chains are cross-linked by C—H...π interactions.

scholarly journals 2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol

2012 ◽  
Vol 68 (8) ◽  
pp. o2445-o2446 ◽  
Author(s):  
Aliakbar Dehno Khalaji ◽  
Mahsa Nikookar ◽  
Karla Fejfarová ◽  
Michal Dušek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The crystal structure of the title compound, C14H12N2O4, contains four crystallographically independent molecules in the asymmetric unit. All the molecules have similar conformations; the dihedral angles between the aromatic rings are 33.1 (1), 33.76 (9), 31.41 (9) and 32.56 (10)°. Intramolecular O—H...N hydrogen bonds formS(6) ring motifs in each molecule. In the crystal, there are two pairs of pseudo-inversion-related molecules. Along thecaxis, molecules are stacked with π–π interactions between the 2-hydroxyphenyl and 4-methoxy-2-nitrophenyl rings [centroid–centroid distances = 3.5441 (12)–3.7698 (12) Å].

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).

scholarly journals Crystal structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (12) ◽  
pp. 1525-1527 ◽  
Author(s):  
Ajaykumar D. Kulkarni ◽  
Md. Lutfor Rahman ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent molecules (AandB), both of which have atransconformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In moleculeA, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)° with the benzene and indole rings, respectively. The corresponding dihedral angles for moleculeBare 54.54 (11) and 14.60 (10)°, respectively. In the crystal, molecules are consolidated into –A–B–A–B– chains along [010]viaN—H...N hydrogen bonds. The chains are further linked into layers parallel to theacplaneviaπ–π interactions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) Å].

scholarly journals Crystal structure of (E)-4-hydroxy-N′-(3-methoxybenzylidene)benzohydrazide

2016 ◽  
Vol 72 (9) ◽  
pp. 1339-1342 ◽  
Author(s):  
Suchada Chantrapromma ◽  
Patcharawadee Prachumrat ◽  
Pumsak Ruanwas ◽  
Nawong Boonnak ◽  
Mohammad B. Kassim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Methoxy Group ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C15H14N2O3, crystallizes with two independent molecules (AandB) in the asymmetric unit that differ in the orientation of the 3-methoxyphenyl group with respect to the methylidenebenzohydrazide unit. The dihedral angles between the two benzene rings are 24.02 (10) and 29.30 (9)° in moleculesAandB, respectively. In moleculeA, the methoxy group is twisted slightly relative to its bound benzene ring, with a Cmethyl—O—C—C torsion angle of 14.2 (3)°, whereas it is almost co-planar in moleculeB, where the corresponding angle is −2.4 (3)°. In the crystal, the molecules are linked by N—H...O, O—H...N and O—H...O hydrogen bonds, as well as by weak C—H...O interactions, forming sheets parallel to thebcplane. The N—H...O hydrogen bond and weak C—H...O interaction link different molecules (A...B) whereas both O—H...N and O—H...O hydrogen bonds link like molecules (A...A) and (B...B). Pairs of inversion-relatedBmolecules are stacked approximately along theaaxis by π–π interactions in which the distance between the centroids of the 3-methoxyphenyl rings is 3.5388 (12) Å. TheBmolecules also participate in weak C—H...π interactions between the 4-hydroxyphenyl and the 3-methoxyphenyl rings.

scholarly journals Crystal structure of pymetrozine

2015 ◽  
Vol 71 (7) ◽  
pp. o461-o462
Author(s):  
Youngeun Jeon ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pest Control ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Ring Centroid

The title compound, C10H11N5O {systematic name: 6-methyl-4-[(E)-(pyridin-3-ylmethylidene)amino]-4,5-dihydro-1,2,4-triazin-3(2H)-one}, C10H11N5O, is used as an antifeedant in pest control. The asymmetric unit comprises two independent molecules,AandB, in which the dihedral angles between the pyridinyl and triazinyl ring planes [r.m.s. deviations = 0.0132 and 0.0255 ] are 11.60 (6) and 18.06 (4)°, respectively. In the crystal, N—H...O, N—H...N, C—H...N and C—H...O hydrogen bonds, together with weak π–π interactions [ring-centroid separations = 3.5456 (9) and 3.9142 (9) Å], link the pyridinyl and triazinyl rings ofAmolecules, generating a three-dimensional network.

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.

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