scholarly journals 2-[(1-Methyl-1H-pyrrol-2-yl)methylidene]propanedinitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1170-o1170
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Shaeel A. Al-Thabaiti ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Title Compound ◽  
Crystal Packing ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Centroid

In the title compound, C9H7N3, the N-bound methyl group and vinyl H atom aresyn. The 12 non-H atoms comprising the molecule are essentially coplanar (r.m.s. deviation = 0.071 Å). Supramolecular tapes feature in the crystal packing, orientated perpendicular to [10-1], and are formed by C—H...N interactions involving each cyano N atom. The tapes are connected into layersviaπ–π interactions occurring between translationally related pyrrole rings [ring centroid–centroid distance = 3.8754 (10) Å]; the layers stack along thebaxis.

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

scholarly journals 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromobenzoate

2012 ◽  
Vol 68 (4) ◽  
pp. o1218-o1218 ◽  
Author(s):  
Aurang Zeb ◽  
Sammer Yousuf ◽  
Fatima Z. Basha
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C13H12BrN3O4, the dihedral angle between the benzene and imidazole rings is 30.6 (2)°. In the crystal, molecules are linked into chains parallel to [001] by C—H...O hydrogen bonds. The crystal packing is further consolidated by π–π interactions [centroid–centroid distance = 3.482 (2) Å].

scholarly journals Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate

2012 ◽  
Vol 68 (4) ◽  
pp. o931-o931 ◽  
Author(s):  
Najat Abbassi ◽  
Bassou Oulemda ◽  
El Mostapha Rakib ◽  
Detlef Geffken ◽  
Hafid Zouihri
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C21H25N3O6S, the dihedral angle between the methoxybenzene and indazole rings is 74.96 (5)°. The crystal packing is stabilized by an N—H...O hydrogen bond into a two-dimensional network. In addition, C—H...π interactions and a π–π contact, with a centroid–centroid distance of 3.5333 (6) Å, are observed. The crystal packing is stabilized by N—H...O and C—H...O hydrogen bonds.

scholarly journals (2E)-2-(Furan-2-ylmethylidene)-2,3-dihydro-1H-inden-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1065-o1065 ◽  
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Khulud F. Al-Nemari ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Minor Component ◽  
Membered Ring ◽  
Single Bond ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Centroid

In the title compound, C14H10O2, the five-membered ring of the inden-1-one residue is almost planar (r.m.s. deviation = 0.035 Å). A twist about the single bond linking the two residues is evident [C—C—C—C torsion angle = −13.2 (5)°]. The three-dimensional architecture is stabilized by C—H...O (involving the trifurcated carbonyl O atom), C—H...π and π–π interactions [between the five- and six-membered rings of inden-1-one residues; ring centroid–centroid distance = 3.7983 (17) Å]. The sample studied was a non-merohedral twin; the minor component refined to approximately 36%.

scholarly journals N-(2-Formylphenyl)-4-toluenesulfonamide: a second monoclinic polymorph

2012 ◽  
Vol 68 (4) ◽  
pp. o1009-o1010 ◽  
Author(s):  
S. Murugavel ◽  
N. Manikandan ◽  
D. Kannan ◽  
M. Bakthadoss
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Space Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

The title compound, C14H13NO3S, (I), is a second monoclinic polymorph. The original polymorph, (II), was reported by Mahíaet al.[Acta Cryst.(1999), C55, 2158–2160]. Polymorph (II) crystalllized in the space groupP21/c(Z= 4), whereas the title polymorph (I) occurs in the space groupP21/n(Z= 4). The dihedral angle between the two aromatic rings is 75.9 (1)° in (I) compared to 81.9 (1)° for (II). In both polymorphs, twoS(6) rings are generated by intramolecular N—H...O and C—H...O hydrogen bonds, resulting in similar molecular geometries. However, the two polymorphs differ concerning their crystal packing. In (I), molecules are linked intoC(8) zigzag chains along thebaxis by C—H...O hydrogen bonds, whereas in (II) molecules are linked by C—H...O hydrogen bonds, formingC(7) chains along thebaxis. The title polymorph is further stabilized by intermolecular C—H...π and π–π interactions [centroid–centroid distance = 3.814 (1) Å]. These interactions are not evident in polymorph (II).

scholarly journals 7-Methoxy-2-phenylchroman-4-one

2013 ◽  
Vol 69 (2) ◽  
pp. o271-o271 ◽  
Author(s):  
Agata Piaskowska ◽  
Maciej Hodorowicz ◽  
Wojciech Nitek
Keyword(s):  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Static Disorder ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C16H14O3, the ring O atom and the two adjacent non-fused C atoms, as well as the attached phenyl ring, exhibit static disorder [occupancy ratio 0.559 (12):0.441 (12)]. The crystal packing features π–π [centroid–centroid distance = 3.912 (1) Å] and C—H...π interactions.

scholarly journals Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate

2009 ◽  
Vol 65 (6) ◽  
pp. o1240-o1240
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Byeng Wha Son ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Furan Ring ◽  
Asymmetric Unit ◽  
Halogen Bonds ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules ◽  
Ring Centroid

There are two symmetry-independent molecules in the asymmetric unit of the title compound, C13H13IO4S. In each molecule, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π–π interactions between the benzene and furan ring [centroid–centroid distance = 3.866 (7) Å], and by intermolecular C—H...π interactions and a sulfinyl–sulfinyl interaction [S...O = 3.025 (4) Å]. The crystal structure also exhibits weak intermolecular C—H...O hydrogen bonds and two different I...O halogen bonds.

scholarly journals 1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Bassam Abu Thaher ◽  
Dieter Schollmeyer ◽  
Basem Qeshta ◽  
Kanan M. Wahedy ◽  
Ihab M. Almasri ◽  
...  
Keyword(s):  
Title Compound ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Ring System ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C20H10Cl3N5O, the 13-membered ring system makes dihedral angles of 78.64 (9)° with the trichlorophenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π interactions between the 13-membered ring systems [centroid–centroid distance = 3.6655 (11)°].

scholarly journals Dimethyl 2-[(acridin-9-yl)methylidene]malonate

2013 ◽  
Vol 69 (2) ◽  
pp. o224-o224 ◽  
Author(s):  
Sinara M. V. de Almeida ◽  
Ivan R. Pitta ◽  
Maria do Carmo A. de Lima ◽  
Francisco J. B. Mendonça Junior ◽  
Carlos A. de Simone
Keyword(s):  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C19H15NO4, the acridine system is essentially planar (r.m.s. deviation = 0.015 Å). The crystal packing exhibits π–π interactions between pairs of centrosymmetric molecules, one of them between the central heterocyclic rings and others between the outer benzene rings of the acridine systems, with centroid–centroid distances of 3.692 (1) and 3.754 (1) Å, respectively. These pairs are further linked by additional π–π interactions along thea-axis direction through one of the two outer benzene ring of neighboring molecules, with a centroid–centroid distance of 3.642 (2) Å.

2-Methylquinolin-8-yl 2-nitrobenzoate

2007 ◽  
Vol 63 (11) ◽  
pp. o4304-o4304 ◽  
Author(s):  
Gang Lei
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Ester Group ◽  
Ring System ◽  
Quinoline Ring ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C17H12N2O4, the quinoline ring system is essentially planar. The ester group is twisted away from the quinoline ring system and nitrobenzene ring by 84.83 (3) and 80.56 (4)°, respectively. The crystal packing is stabilized by C—H...O intermolecular hydrogen bonds, and π–π interactions between the quinoline ring systems of inversion-related molecules, with a centroid–centroid distance of 3.6346 (6) Å.

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