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

2014 â—½  
Vol 70 (7) â—½  
pp. o805-o805
Author(s):  
Shaaban K. Mohamed â—½  
Joel T. Mague â—½  
Mehmet Akkurt â—½  
Bahgat R. M. Hussein â—½  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bond â—½  
Hydrogen Bonds â—½  
Title Compound â—½  
Phenyl Ring â—½  
Three Dimensional â—½  
Ring System â—½  
Compound C â—½  
Dimensional Network â—½  
Fused Ring â—½  
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 Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]-2-oxoacetate

2013 â—½  
Vol 69 (12) â—½  
pp. o1730-o1730
Author(s):  
Jia-liang Zhong â—½  
Wen-xia Sun â—½  
Fu-li Zhang â—½  
Li-hong Liu â—½  
He Liu
Keyword(s):  
Hydrogen Bonds â—½  
Title Compound â—½  
Three Dimensional â—½  
Ring System â—½  
Dihedral Angles â—½  
Π Interactions â—½  
Compound C â—½  
Dimensional Network â—½  
Fused Ring â—½  
Fused Ring System

In the title compound, C25H23NO4, the pyrrolizine ring is approximately planar with an r.m.s deviation from planarity of 0.0053 Å, while the fused dihydropyrrolizine ring adopts an envelope conformation with the C atom connected to two CH2as the flap. The dihedral angles between the fused ring system and the phenyl and methylbenzoyl rings are 41.65 (11) and 66.30 (8)°, respectively. In the crystal, weak C—H...O hydrogen bonds and C—H...π interactions occur. One molecule is linked to five adjacent ones through eight hydrogen bonds, forming a three-dimensional network.

scholarly journals 1-Dodecylindoline-2,3-dione

2014 â—½  
Vol 70 (2) â—½  
pp. o229-o229 â—½  
Author(s):  
Fatima-Zahrae Qachchachi â—½  
Fouad Ouazzani Chahdi â—½  
Houria Misbahi â—½  
Michael Bodensteiner â—½  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds â—½  
Title Compound â—½  
Three Dimensional â—½  
Ring System â—½  
Compound C â—½  
Dimensional Network â—½  
Fused Ring â—½  
Plane Passing â—½  
The Mean â—½  
Fused Ring System

The structure of the title compound, C20H29NO2, is isotypic to that of its homologue 1-octylindoline-2,3-dione. The indoline ring and the two carbonyl-group O atoms are approximately coplanar, the largest deviation from the mean plane being 0.0760 (10) Å. The mean plane through the fused-ring system is nearly perpendicular to the mean plane passing through the 1-dodecyl chain [dihedral angle = 77.69 (5)°]. All C atoms of the dodecyl group are in an antiperiplanar arrangement. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 1-Octylindoline-2,3-dione

2013 â—½  
Vol 69 (12) â—½  
pp. o1801-o1801 â—½  
Author(s):  
Fatima-Zahrae Qachchachi â—½  
Youssef Kandri Rodi â—½  
El Mokhtar Essassi â—½  
Werner Kunz â—½  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds â—½  
Title Compound â—½  
Three Dimensional â—½  
Ring System â—½  
Compound C â—½  
Dimensional Network â—½  
Fused Ring â—½  
Plane Passing â—½  
The Mean â—½  
Fused Ring System

In the title compound, C16H21NO2, the indoline ring and the two ketone O atoms are approximately coplanar, the largest deviation from the mean plane being 0.063 (2) Å. The mean plane through the fused ring system is nearly perpendicular to the mean plane passing through the 1-octyl chain [dihedral angle = 77.53 (17)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 2-(3-Nitrophenyl)-3-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one

2013 â—½  
Vol 69 (11) â—½  
pp. o1679-o1679 â—½  
Author(s):  
Hemant P. Yennawar â—½  
Lee J. Silverberg â—½  
Michael J. Minehan â—½  
John Tierney
Keyword(s):  
Title Compound â—½  
Phenyl Ring â—½  
Three Dimensional â—½  
Ring System â—½  
Aromatic Rings â—½  
Compound C â—½  
Dimensional Network â—½  
Fused Ring â—½  
Thiazine Ring â—½  
Fused Ring System

The title compound, C20H14N2O3S, has three aromatic rings,viz.(i) a phenyl ring, (ii) a 3-nitrophenyl and (iii) a 1,3-benzothiazine fused-ring system. The dihedral angle between (i) and (ii) is 85.31 (15)°, between (ii) and (iii) is 81.33 (15)° and between (i) and (iii) is 75.73 (15)°. The six-membered 1,3-thiazine ring has an envelope conformation with the C atom in the 2-position forming the flap. In the crystal, molecules are linked by weak C—H...O interactions, forming a three-dimensional network.

scholarly journals 2-(3-Bromo-5-nitro-1H-indazol-1-yl)-1-phenylethanone

IUCrData â—½  
2017 â—½  
Vol 2 (4) â—½  
Author(s):  
Mohammed Boulhaoua â—½  
Mohammed Benchidmi â—½  
El Mokhtar Essassi â—½  
Mohamed Saadi â—½  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds â—½  
Dihedral Angle â—½  
Title Compound â—½  
Three Dimensional â—½  
Ring System â—½  
Compound C â—½  
Dimensional Network â—½  
Fused Ring â—½  
The Mean â—½  
Fused Ring System

The 5-nitro-1H-indazol-1-yl moiety of the title compound, C15H10BrN3O3, is approximately planar, with the largest deviation from the mean plane being 0.079 (3) Å. The fused-ring system is virtually perpendicular to the mean plane through the 1-phenylethanone group, making a dihedral angle of 89.7 (2)°. In the crystal, pairs of molecules form inversion dimersviaBr...O interactions [3.211 (2) Å]. The dimers are connected by C—H...O and C—H...N non-classical hydrogen bonds, in addition to π–π interactions [intercentroid distance = 3.6411 (12) Å], forming a three-dimensional network.

scholarly journals (Z)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1H-indole

2013 â—½  
Vol 69 (12) â—½  
pp. o1781-o1781 â—½  
Author(s):  
M. Umadevi â—½  
V. Saravanan â—½  
R. Yamuna â—½  
A. K. Mohanakrishnan â—½  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure â—½  
Hydrogen Bond â—½  
Hydrogen Bonds â—½  
Phenyl Ring â—½  
Three Dimensional â—½  
Ring System â—½  
Indole Ring â—½  
Compound C â—½  
Dimensional Network â—½  
A Chain

In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07 (8)° with the phenyl ring. The molecular structure is stabilized by a weak intramolecular C—H...O hydrogen bond. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a chain along [10-1]. C—H...π interactions are also observed, leading to a three-dimensional network.

scholarly journals Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2014 â—½  
Vol 70 (5) â—½  
pp. o587-o587 â—½  
Author(s):  
Mohamed Bakhouch â—½  
Ghali Al Houari â—½  
Mohamed El Yazidi â—½  
Mohamed Saadi â—½  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds â—½  
Aromatic Ring â—½  
Dihedral Angle â—½  
Title Compound â—½  
Phenyl Ring â—½  
Three Dimensional â—½  
Ring System â—½  
Π Interactions â—½  
Compound C â—½  
Dimensional Network

The molecule of the title compound, C20H16N2O5S, is built up by one fused five-membered and two fused six-membered rings linked to ethoxycarbonyl and 3-nitrophenyl groups. The benzothienopyran ring system is nearly planar (r.m.s deviation = 0.0392 Å) and forms a dihedral angle of 86.90 (6)° with the aromatic ring of the nitrobenzene group. In the crystal, molecules are linked by N—H...O hydrogen bonds and by π–π interactions between the phenyl ring and the six-membered heterocyle [intercentroid distance = 3.5819 (8) Å], forming a three-dimensional network.

scholarly journals Crystal structure of 3-(hydroxymethyl)chromone

2015 â—½  
Vol 71 (7) â—½  
pp. o495-o495 â—½  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure â—½  
Hydrogen Bonds â—½  
Three Dimensional â—½  
Heterocyclic Ring â—½  
Ring System â—½  
Compound C â—½  
Dimensional Network â—½  
Centroid Distance â—½  
Fused Ring â—½  
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 2-(5-Methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide

IUCrData â—½  
2017 â—½  
Vol 2 (2) â—½  
Author(s):  
N. Ramprasad â—½  
K. V. Arjuna Gowda â—½  
Ramakrishna Gowda â—½  
Mahantesha Basanagouda â—½  
K. S. Kantharaj â—½  
...  
Keyword(s):  
Hydrogen Bonds â—½  
Torsion Angle â—½  
Title Compound â—½  
Phenyl Ring â—½  
Ring System â—½  
Stacking Interactions â—½  
Methyl Group â—½  
Compound C â—½  
Fused Ring â—½  
Fused Ring System

The title compound, C19H19NO2, is non-planar with the phenyl ring of the phenethylacetamide residue inclined to the benzofuran ring system by 84.8 (3)°. The methyl group lies in the plane of the fused ring system [C—C—C—C torsion angle = −179.6 (3)°]. In the crystal, N—H...O hydrogen bonds link the molecules into chains along thea-axis direction. π–π stacking interactions with a centroid-to-centroid distances of 3.497 (3) Å further stabilize the structure, stacking the molecules alonga.

scholarly journals 5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4H-chromen-4-one

IUCrData â—½  
2017 â—½  
Vol 2 (4) â—½  
Author(s):  
Fan Yang â—½  
Yang Li â—½  
Shu-Jing Zhou
Keyword(s):  
Hydrogen Bond â—½  
Hydrogen Bonds â—½  
Title Compound â—½  
Phenyl Ring â—½  
Three Dimensional â—½  
Ring System â—½  
Maximum Deviation â—½  
Supramolecular Network â—½  
Stacking Interactions â—½  
Compound C

In the title compound, C18H12O4, the essentially planar chromenone ring system [the maximum deviation = 0.016 (2) Å] is nearly co-planar with the phenyl ring [dihedral angle = 3.85 (8)°]. An intramolecular O—H...O hydrogen bond occurs. In the crystal, weak C—H...O hydrogen bonds and π–π stacking interactions link the molecules into a three-dimensional supramolecular network.

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