scholarly journals Crystal structure of 2-methylamino-3-nitro-4-p-tolylpyrano[3,2-c]chromen-5(4H)-one

2015 ◽  
Vol 71 (3) ◽  
pp. o158-o159
Author(s):  
J. Govindaraj ◽  
Y. AaminaNaaz ◽  
Jayabal Kamalraja ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Molecular Conformation ◽  
Ring System ◽  
The Other ◽  
Pyran Ring ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the racemic title compound, C20H16N2O5, the pyran ring adopts a shallow envelope conformation, with the stereogenic C atom displaced from the other atoms by 0.273 (2) Å. The dihedral angle between the fused-ring system and the pendantp-tolyl group is 87.62 (7)°. The molecular conformation is consolidated by an intramolecular N—H...O hydrogen bond, which generates anS(6) ring. In the crystal, molecules are linked by C—H...O interactions, resulting in [010] chains.

scholarly journals Crystal structure of 1,7,8,9-tetrachloro-4-(2-fluorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

2015 ◽  
Vol 71 (1) ◽  
pp. o32-o32
Author(s):  
Jia-liang Zhong ◽  
Jia-wei Hou ◽  
Li-hong Liu ◽  
He Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Fused Ring ◽  
Adjacent Molecule ◽  
Fused Ring System

In the title compound, C17H12Cl4FNO4, the configuration of the cycloalkene skeleton isendo,cis. The benzene ring is twisted by 71.01 (11)° from the attached pyrrolidine ring. In the crystal, one of the methine groups of the fused-ring system forms a weak C—H...O hydrogen bond. The other methine groups participates in a C—H...F interaction to the same adjacent molecule. Together, these generate [010] chains.

scholarly journals Crystal structure of ethyl 2-amino-4-(4-chlorophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2015 ◽  
Vol 71 (8) ◽  
pp. o619-o620
Author(s):  
Mohamed Bakhouch ◽  
Asmae Mahfoud ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ring System ◽  
The Other ◽  
Bond Forming ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System ◽  
Ring Motif

The title compound, C20H16ClNO3S, is built up from three fused rings, one five- and two six-membered rings, linked to a 3-ethoxycarbonyl group and to a 4-chlorophenyl ring. The hydropyran ring has a flattened envelope conformation, with the C atom substituted by the 4-chlorophenyl ring as the flap (displaced by 0.077 (2) Å from the plane through the other atoms). The fused three-ring system is quasi-planar (r.m.s. deviation = 0.057 Å), with the largest deviation from the mean plane being 0.106 (1) Å for the C atom substituted by the 4-chlorophenyl ring. The 4-chlorophenyl ring is approximately perpendicular to the mean plane of the fused ring system, as indicated by the dihedral angle of 77.32 (6)° between their mean planes. There is an intramolecular N—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(12) ring motif. There are also short intermolecular Cl...O interactions present [3.1226 (12) Å] between neighbouring molecules.

scholarly journals 12,15-Dimethyl-8-oxatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol

IUCrData ◽  
2020 ◽  
Vol 5 (3) ◽  
Author(s):  
Alan J. Lough ◽  
Samuel Koh ◽  
William Tam
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
The Other ◽  
Pyran Ring ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C19H18O2, the pyran ring is in a half-chair conformation. The fused ring system comprising the benzene and cyclohexene rings is essentially planar (r.m.s. deviation = 0.053 Å) and forms a dihedral angle of 27.95 (6)° with the other benzene ring. In the crystal, O—H...O hydrogen bonds connect the molecules into chains propagating along [001].

scholarly journals Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate

2015 ◽  
Vol 71 (9) ◽  
pp. o648-o649
Author(s):  
Rajamani Raja ◽  
Subramani Kandhasamy ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Ring System ◽  
Pyran Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Cl Atoms ◽  
Fused Ring System

In the title compound, C22H13BrN2O7·CHCl3, the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromochromene system as the flap [deviation = 0.291 (3) Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032 Å) and the bromochromene ring system (r.m.s. deviation = 0.027 Å) is 87.56 (9)°. An intramolecular N—H...O hydrogen bond closes anS(6) ring. The Cl atoms of the solvent molecule are disordered over two sets of sites in a 0.515 (6):0.485 (6) ratio. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generateR22(12) loops. The packing also features C—H...O and very weak π–π [centroid–centroid separation = 3.960 (2) Å] interactions, which link the dimers into a three-dimensional network.

scholarly journals Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-d:6,5-d′]dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate

2014 ◽  
Vol 70 (10) ◽  
pp. 213-215
Author(s):  
Armen Ayvazyan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Crystal Symmetry ◽  
Compound C ◽  
Tetragonal Crystal ◽  
Fused Ring ◽  
Fused Ring System

The title compound, C20H18N6O5·0.5C3H7NO, crystallized as a dimethylformamide (DMF) solvate. In the main molecule, the dihedral angle between the pyridodipyrimidine fused-ring system and the benzamide substituent is 82.26 (11)°. In the crystal, the benzamide molecules are linked by N—H...O hydrogen bonds to generate tetramers with an approximate square-prismatic shape, which appears to correlate with the tetragonal crystal symmetry. The DMF molecule is disordered about a crystallographic twofold axis and accepts a C—H...O interaction from the benzamide molecule.

scholarly journals 2,3-Diethylbenzo[g]quinoxaline

IUCrData ◽  
2020 ◽  
Vol 5 (4) ◽  
Author(s):  
Guy Crundwell ◽  
Ashley Leeds
Keyword(s):  
Title Compound ◽  
Water Solution ◽  
Acid Catalyst ◽  
Ring System ◽  
The Other ◽  
Stacking Interactions ◽  
Ring Plane ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

The title compound, C16H16N2, was synthesized by dispersing 3,4-hexanedione in a methanol–water solution containing the acid catalyst NH4HF2, then adding 1,2-diaminonaphthalene. The fused-ring system of the title compound is close to planar (r.m.s. deviation = 0.028 Å); one of the pendant methyl C atoms lies close to the ring plane [deviation = 0.071 (2) Å; N—C—C—C = −0.27 (18)°] whereas the other is significantly displaced [–1.7136 (18) Å; 91.64 (16)°]. The molecules pack in space group I\overline{4} in a distinctive criss-cross motif supported by numerous aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.5805 (6) Å].

scholarly journals 9,9-Diethyl-7-ethynyl-N,N-diphenyl-9H-fluoren-2-amine

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
J. J. Novina ◽  
G. Vasuki ◽  
Prachi Singh ◽  
K. R. Justin Thomas
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Fused Ring ◽  
Phenyl Rings ◽  
Fused Ring System

In the title compound, C31H27N, the fluorene unit is approximately planar (r.m.s deviation = 0.0255 Å). The dihedral angles between the fluorene fused ring system and two phenyl rings are 88.37 (5) and 66.31 (6)°. Weak intermolecular C—H...π(ring) interactions help to stabilize the crystal structure.

scholarly journals Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2015 ◽  
Vol 71 (5) ◽  
pp. o366-o367
Author(s):  
Mohamed Bakhouch ◽  
Abdelali Kerbal ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Membered Ring ◽  
Carboxylate Group ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The molecule of the title compound, C21H19NO4S, features a fused ring system whereby a five-membered ring is flanked by two six-membered rings. This is linked to an ethyl 3-carboxylate group and to a methoxybenzene group. The fused-ring system is quasi-planar, with the greatest deviation from the mean plane being 0.131 (1) Å for the methine C atom. The plane through the methoxybenzene ring is nearly perpendicular to that through the fused-ring system, as indicated by the dihedral angle of 85.72 (6)°. An intramolecular N—H...O hydrogen bond is noted. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming layers that stack along theaaxis.

scholarly journals 3,4,6-Triamino-N-phenylthieno[2,3-b]pyridine-2-carboxamide

2014 ◽  
Vol 70 (7) ◽  
pp. o805-o805
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Bahgat R. M. Hussein ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C14H13N5OS, the dihedral angle between the fused ring system (r.m.s. deviation = 0.028 Å) and the phenyl ring is 48.24 (4)°. The molecule features both an intramolecular N—H...O and an N—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O and N—H...N hydrogen bonds, generating a three-dimensional network. A weak N—H...π interaction is also observed.

scholarly journals Crystal structure of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(thiazol-4-yl)-1H-benzimidazole

2015 ◽  
Vol 71 (12) ◽  
pp. o951-o952 ◽  
Author(s):  
Hicham Gueddar ◽  
Rachid Bouhfid ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The benzimidazole ring in the title compound, C16H17N3O2S, is almost planar, with the greatest deviation from the mean plane being 0.032 (1) Å. The fused-ring system makes dihedral angles of 19.91 (7) and 24.51 (8)° with the best plane through each of the thiazol-4-yl and 1,3-dioxolan-4-yl rings, respectively; the latter exhibits an envelope conformation with the methylene C atom being the flap. Finally, the thiazol-4-yl ring makes a dihedral angle of 33.85 (9)° with the 1,3-dioxolan-4-yl ring. In the crystal, molecules are connected by a pair of C—H...π(imidazole) interactions to form centrosymmetric aggregates.

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