scholarly journals 2-(2-Amino-4-nitrophenyl)-7-nitro-4H-3,1-benzoxazin-4-one

2014 ◽  
Vol 70 (2) ◽  
pp. o158-o159
Author(s):  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Benzene Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Fused Ring ◽  
Fused Ring System ◽  
Dimeric Aggregates

In the title compound, C14H8N4O6, the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018 Å) is coplanar with the attached benzene ring [dihedral angle = 0.81 (4)°], there being an intramolecular N—H...N hydrogen bond between them. Each nitro group is twisted out of the plane of the attached benzene ring [O—N—C—C torsion angles = 167.94 (11) and 170.38 (11)°]. In the crystal, amine–nitro N—H...O hydrogen bonds lead to centrosymmetric dimeric aggregates that are connected into a three-dimensional architecture by oxazinyl–nitro C—H...O and π–π interactions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069 (7) Å].

scholarly journals N-Acetyl-N-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1177-o1178 ◽  
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Shaeel A. Al-Thabaiti ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C27H21N3O3, the cyclohexa-1,3-diene ring has a screw-boat conformation, and the fused ring system is folded, the dihedral angle between the outer benzene rings being 27.61 (6)°. TheN-acetylacetamide residue (r.m.s. deviation = 0.0935 Å) has ananticonformation and is essentially perpendicular to the benzene ring to which it is connected [dihedral angle = 89.14 (6)°]; the methoxybenzene group is also twisted out of this ring [dihedral angle = 59.47 (7)°]. The three-dimensional architecture is consolidated by C—H...O and C—H...π interactions.

scholarly journals Crystal structure of 3-(hydroxymethyl)chromone

2015 ◽  
Vol 71 (7) ◽  
pp. o495-o495 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Heterocyclic Ring ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C10H8O3(systematic name 3-hydroxymethyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hydroxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR22(12) loops. The dimers are linked by aromatic π–π stacking [shortest centroid–centroid distance = 3.580 (3) Å], and C—H...O hydrogen bonds, generating a three-dimensional network.

scholarly journals 3-Ethenyl-1-(4-methylphenylsulfonyl)-1H-indole

2012 ◽  
Vol 68 (6) ◽  
pp. o1829-o1830
Author(s):  
Julio Zukerman-Schpector ◽  
Glaudeston D. Wulf ◽  
Hélio A. Stefani ◽  
Stanley N. S. Vasconcelos ◽  
Seik Weng Ng ◽  
...  
Keyword(s):  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

Two independent but very similar molecules comprise the asymmetric unit of the title compound, C17H15NO2S. The molecules have L-shapes with the dihedral angles between the fused-ring system (r.m.s. deviations = 0.036 and 0.019 Å, respectively) and the benzene ring being almost the same, i.e. 82.98 (12) and 84.46 (13)°, respectively. The terminal ethenyl group is almost coplanar with the ring to which it is connected [C—C—C—C torsion angles = −173.7 (4) and −171.7 (4)°, respectively]. Supramolecular arrays parallel to (-124) stabilized by C—H...O and C—H...π interactions feature in the crystal packing.

scholarly journals 1-(Prop-2-ynyl)indoline-2,3-dione

2014 ◽  
Vol 70 (3) ◽  
pp. o360-o360 ◽  
Author(s):  
Fatima-Zahrae Qachchachi ◽  
Fouad Ouazzani Chahdi ◽  
Houria Misbahi ◽  
Michael Bodensteiner ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Acta Cryst ◽  
Compound C ◽  
Benzene Rings ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The structure of the title compound, C11H7NO2, is isotypic to that of its homologue, 1-octylindoline-2,3-dione [Qachchachiet al.(2013).Acta Cryst.E69, o1801]. The indoline ring and the two carbonyl O atoms are approximately coplanar, the largest deviation from the mean plane being 0.021 (1) Å for one of the O atoms. The mean plane through the fused ring system is nearly perpendicular to the propynyl group, as indicated by the N—C—C—C torsion angle of 77.9 (1)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and π–π interactions between benzene rings [intercentroid distance = 3.5630 (10) Å], forming a three-dimensional structure.

scholarly journals 1-Methyl-2-methylsulfanyl-6-nitro-1H-benzimidazole

2014 ◽  
Vol 70 (4) ◽  
pp. o407-o407 ◽  
Author(s):  
Mohamed El Ghozlani ◽  
El Mostapha Rakib ◽  
Abdelouahid Medaghri-Alaoui ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Plane Passing ◽  
The Mean ◽  
Fused Ring System

The molecule of the title compound, C9H9N3O2S, is built up from fused five- and six-membered rings connected to methylsulfanyl and nitro groups, respectively. The mean plane through the fused ring system is inclined slightly relative to the plane passing through the nitro group [dihedral angle = 3.6 (2)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds and π–π interactions between imidazole rings [inter-centroid distance = 3.667 (3) Å], forming a three-dimensional network.

scholarly journals Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin

2016 ◽  
Vol 72 (8) ◽  
pp. 1194-1196 ◽  
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
Quynh Nguyen Nhu Do
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Fused Ring ◽  
Fused Ring System

The title compound, C12H8O4, is a furanocoumarin [systematic name: 4-methoxy-7H-furo[3,2-g]chromen-7-one], which was isolated from the Indian herbT. stictocarpum. The molecule is almost planar with an r.m.s. deviation of 0.024 Å for the hetero atoms of the fused-ring system. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional framework. There are offset π–π interactions present involving the coumarin moieties stacking along thea-axis direction [shortest inter-centroid distance = 3.717 (3) Å].

scholarly journals 5-Bromo-2,4,6-trimethyl-3-(3-methylphenylsulfinyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o435-o435
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C18H17BrO2S, the dihedral angle between the mean plane of the benzofuran ring system and the benzene ring is 68.58 (4)°. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds into inversion dimers. These dimers are linked by C—H...O hydrogen bonds and π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.783 (1) Å], forming a three-dimensional network. In addition, the stacked molecules exhibit inversion-related S...O contacts [3.153 (1) Å] involving the sulfinyl groups.

scholarly journals Crystal structure of 3-acetyl-4H-chromen-4-one

2015 ◽  
Vol 71 (7) ◽  
pp. o527-o527
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C11H8O3, the fused-ring system is almost planar (r.m.s. deviation = 0.020 Å), with the largest deviation from the least-squares plane [0.0462 (17) Å] being for a pyran C atom. The dihedral angle between the plane of the fused-ring system and acetyl plane is 5.149 (16)°. In the crystal, the fused rings are linked by aromatic π–π stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.643 (6) Å] and C—H...O hydrogen bonds, generating a three-dimensional network.

scholarly journals 1-Benzyl-5-bromoindoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Yassine Kharbach ◽  
Youssef Kandri Rodi ◽  
Catherine Renard ◽  
El Mokhtar Essassi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Ring System ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
Compound C ◽  
Centroid Distance ◽  
Fused Ring ◽  
Common Plane ◽  
The Mean ◽  
Fused Ring System

In the title compound, C15H10BrNO2, the indoline ring system, the two ketone O atoms and the Br atom lie in a common plane, with the largest deviation from the mean plane being 0.073 (1) Å for the Br atom. The fused-ring system is nearly perpendicular to the benzyl ring, as indicated by the dihedral angle between them of 74.58 (10)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and by π–π interactions [inter-centroid distance = 3.625 (2) Å], forming a two-dimensional structure.

scholarly journals Crystal structure ofN-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1029-o1030
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network

In the title compound, C19H20ClN3O4S, the benzene ring is inclined to the indazole ring system (r.m.s. deviation = 0.014 Å) by 65.07 (8)°. The allyl and ethoxy groups are almost normal to the indazole ring, as indicated by the respective torsion angles [N—N—C—C = 111.6 (2) and C—C—O—C = −88.1 (2)°]. In the crystal, molecules are connected by N—H...N hydrogen bonds, forming helical chains propagating along [010]. The chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

Sign in / Sign up

Export Citation Format

Share Document