scholarly journals 2-(5-Methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
N. Ramprasad ◽  
K. V. Arjuna Gowda ◽  
Ramakrishna Gowda ◽  
Mahantesha Basanagouda ◽  
K. S. Kantharaj ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Stacking Interactions ◽  
Methyl Group ◽  
Compound C ◽  
Fused Ring ◽  
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 (2Z)-2-(5-Fluoro-1-methyl-2-oxoindolin-3-ylidene)-N-(3-fluorophenyl)hydrazine-1-carbothioamide

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Zeliha Atioğlu ◽  
Zekiye Şeyma Sevinçli ◽  
Nilgün Karalı ◽  
Mehmet Akkurt ◽  
Cem Cüneyt Ersanlı
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Indole Ring ◽  
Molecular Plane ◽  
Methyl Group ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C16H12F2N4OS, the whole molecule is essentially planar (r.m.s deviation = 0.003 Å), with only the H atoms of the methyl group lying out of the molecular plane. A planar indole fused-ring system (r.m.s deviation = 0.004 Å) is linked through a hydrazine–carbothioamide bridge to a fluorobenzene ring, with the indole ring system and inclined to the fluorobenzene ring by 4.26 (14)°. The planarity of the molecule is strengthened by three intramolecular N—H...N, N—H...O and C—H...S hydrogen bonds that generateS(5),S(6) andS(6) ring motifs, respectively. In the crystal, π–π stacking interactions combine with C—H...·F hydrogen bonds to link the molecules into layers parallel to the (10-1) plane.

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 4-Benzyl-2-(4-chlorobenzylidene)-3,4-dihydro-2H-1,4-benzothiazin-3(4H)-one

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
El Mokhtar Essassi ◽  
Younes Ouzidan ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Axis Direction ◽  
Compound C ◽  
Fused Ring ◽  
Aromatic Systems ◽  
Fused Ring System

The title compound, C22H16ClNOS, has three aromatic systems,viz. (i) a phenyl ring, (ii) a chlorobenzene ring and (iii) a 1,4-benzothiazine fused-ring system (r.m.s. deviation of the ten fitted atoms = 0.023 Å). The dihedral angle between planes (ii) and (iii) is 1.68 (8)°, indicating a coplanar arrangement, and between plane (i) and each of (ii) and (iii) is 85.61 (8) and 86.74 (8)°, respectively, indicating the phenyl ring is approximately perpendicular to the remaining residue. In the crystal, pairwise methylene-C—H...O(carbonyl) hydrogen bonds form dimers which stack along theb-axis direction.

scholarly journals 3-Benzyl-8-methoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1807-o1807 ◽  
Author(s):  
Rashad Al-Salahi ◽  
Mohamed Al-Omar ◽  
Mohamed Marzouk ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System ◽  
Benzyl Substituent

The tetrahydroquinazole fused-ring system of the title compound, C16H14N2O2S, is roughly planar (r.m.s. deviation = 0.039 Å); the phenyl ring of the benzyl substituent is aligned at 78.1 (1)° with respect to the mean plane of the fused-ring system. In the crystal, two molecules are linked by a pair of N—H...S hydrogen bonds about a center of inversion, generating a dimer.

scholarly journals Crystal structure of ethyl 4-(2-chlorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

2015 ◽  
Vol 71 (9) ◽  
pp. o669-o669
Author(s):  
Balbir Kumar ◽  
Manmeet Kour ◽  
Satya Paul ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ring System ◽  
Side Chain ◽  
Stacking Interactions ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C20H17ClN2O2S, the dihedral angle between the planes of the benzothiazole fused ring system (r.m.s. deviation = 0.024 Å) and the chlorobenzene ring is 89.62 (12)°. The ester C—O—C—C side chain has anantiorientation [torsion angle = −155.2 (3)°]. In the crystal, weak aromatic π–π stacking interactions are observed between the phenyl and pyrimidine rings [centroid–centroid seperation = 3.666 (2) Å].

scholarly journals 6-Nitro-1,3-benzoxazole-2(3H)-thione

IUCrData ◽  
2019 ◽  
Vol 4 (8) ◽  
Author(s):  
Said Jebbari ◽  
El Kihel Abdellatif ◽  
Mustapha Ahbala ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C7H4N2O3S, the dihedral angle between the fused ring system (r.m.s. deviation = 0.008 Å) and the nitro group at the 6-position is 7.3 (2)°. In the crystal, bifurcated N—H...(O,O) hydrogen bonds link the molecules into [010] chains. The chains are cross-linked by π–π stacking interactions to form (001) sheets.

scholarly journals Ethyl 2-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-1-yl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Mohammed Yassin Hjouji ◽  
Youssef Kandri Rodi ◽  
Joel T. Mague ◽  
Younes Ouzidan ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

In the title compound, C16H14BrN3O2, the fused-ring system is essentially planar, with the largest deviation from the mean plane being 0.0216 (15) Å for the substituted N atom of the five-membered ring, the plane of which makes dihedral angles of 28.50 (7) and 77.48 (7)° with the terminal phenyl ring and the ethoxycarbonylmethyl group mean planes, respectively. In the crystal, C—H...N hydrogen bonds link the molecules into inversion dimers. These combine with weak C—H...N contacts to stack the molecules into columns along theb-axis direction.

scholarly journals 1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one

IUCrData ◽  
2018 ◽  
Vol 3 (4) ◽  
Author(s):  
Nadeem Abad ◽  
Youness El Bakri ◽  
Jihad Sebhaoui ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Two Component ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H14N2O2, consists of two independent molecules differing mainly in the orientations of the phenyl and oxirane substituents. In the first molecule, the dihedral angle between the dihydroquinoxaline ring system and phenyl ring is 28.4 (2)° and the N—C—C—O torsion angle is 87.8 (5)°; corresponding data for the second molecule are 23.1 (2) and −85.6 (5)°, respectively. In the crystal, offset π-stacking interactions between the dihydroquinoxaline moieties form oblique stacks, which are connected into layers parallel to the bc plane by C—H...O hydrogen bonds and C—H...π(ring) interactions. Additional C—H...π(ring) interactions tie the layers together. The model was refined as a two-component twin.

scholarly journals The first crystal structure of the pyrrolo[1,2-c]oxazole ring system

2019 ◽  
Vol 75 (9) ◽  
pp. 1336-1338
Author(s):  
Mohamed M. Zreigh ◽  
Harry Adams ◽  
Richard F. W. Jackson ◽  
Craig C. Robertson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Oxazole Ring ◽  
Compound C ◽  
Π Stacking ◽  
Fused Ring ◽  
Fused Ring System

The title compound, C7H4F3NO2, 3-trifluoromethyl-1H-pyrrolo[1,2-c]oxazol-1-one, is the first crystal structure of the pyrrolo[1,2-c]oxazole ring system: the fused ring system is almost planar (r.m.s. deviation = 0.006 Å). In the crystal, weak C—H...O and C—H...F hydrogen bonds link the molecules into [001] chains and π–π stacking interactions consolidate the structure.

scholarly journals 2-Phenyl-1H-1,3,7,8-tetraazacyclopenta[l]phenanthrene

2009 ◽  
Vol 65 (6) ◽  
pp. o1308-o1308 ◽  
Author(s):  
Dong-Ming Liu ◽  
Xiu-Ying Li ◽  
Xiang-Cheng Wang ◽  
Chun-Xiang Li ◽  
Chun-Bo Liu
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Fused Ring ◽  
Fused Ring System

There are two molecules in the asymmetric unit of the title compound, C19H12N4, with dihedral angles of 2.41 (10) and 10.53 (12)° between the fused ring system and the pendant phenyl ring. In the crystal, molecules are linked into chains by N—H...N hydrogen bonds and aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.6176 (16) Å] complete the structure.

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