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 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 6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[c,k]phenanthridine

IUCrData ◽  
2020 ◽  
Vol 5 (9) ◽  
Author(s):  
Yiwen Fang ◽  
Bingbing Liu ◽  
Zhixiang Jia
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Ring System ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C27H19F2N, the five-fused-ring system is highly puckered and the dihedral angle between the central pyridine ring and pendant difluorobenzene ring is 45.12 (12)°. In the crystal, inversion dimers linked by pairwise weak C—H...N hydrogen bonds generate R 2 2(12) loops and the dimers are further linked by weak C—H...F interactions to form [\overline{1}01] chains.

scholarly journals 1-(12-Bromododecyl)-5-chloroindoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Zineb Tribak ◽  
Youssef Kandri Rodi ◽  
Amal Haoudi ◽  
El Mokhtar Essassi ◽  
Fréderic Capet ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Fused Ring ◽  
Plane Passing ◽  
The Mean ◽  
Fused Ring System

In the structure of the title compound, C20H27BrClNO2, the 5-chloroindoline-2,3-dione ring system is approximately planar, the largest deviation from the mean plane being 0.0237 (10) Å. The mean plane through the fused-ring system makes a dihedral angle of 61.00 (18)° with the mean plane passing through the 1-dodecyl chain. All C atoms of the dodecyl group adopt the planar zigzag arrangement normally observed inn-alkane compounds. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains parallel to thebaxis.

scholarly journals 1-(2-Bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1802-o1803 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C18H16BrNO3S, the dihedral angle between the phenyl ring and the indole ring system is 89.91 (11)°. The molecular structure features weak C—H...O and C—H...Br hydrogen bonds. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along thea-axis direction. The chains are further linked by C—H...π interactions, forming a layer parallel to theabplane.

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 5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1240-o1240
Author(s):  
Younes Ouzidan ◽  
Youssef Kandri Rodi ◽  
Hafid Zouihri ◽  
El Mokhtar Essassi ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Inversion Center ◽  
Compound C ◽  
Fused Ring ◽  
Independent Molecules ◽  
Fused Ring System

In the two independent molecules of the title compound, C10H7N3O3, the nitro substitutent is twisted slightly with respect to the benzodiazol fused-ring system [dihedral angles = 4.9 (3) and 8.5 (1)°]. The two independent molecules are disposed about a pseudo inversion center and are held together by N—H...O hydrogen bonds. The supramolecular dimer is essentially planar [dihedral angle between the fused rings = 2.0 (1)°]. Adjacent dimers are linked by acetylene–nitro C—H...O interactions, generating a ribbon motif along (110).

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 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 3-[2-(2-Amino-1H-benzo[d]imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Abdellatif Bouayyadi ◽  
Ahmed Moussaif ◽  
Abdelhalim Mesfioui ◽  
Mohammed Mzibri ◽  
Mohamed Saadi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Benzimidazole Ring ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C12H14N4O2, the benzimidazole ring is almost planar (r.m.s. deviation = 0.03 Å), with the fused ring system slightly folded at the shared atoms, with a dihedral angle of 3.4 (1)°. The oxazolidinone ring displays a twisted conformation on the –CH2–CH2– bond and its mean plane makes a dihedral angle of 57.4 (1)° with the benzimidazole ring mean plane. In the crystal, molecules are linked by N—H...O and N—H...N hydrogen bonds, forming chains propagating along thea-axis direction. The chains are linked by C—H...O and C—H...N hydrogen bonds, forming a three-dimensional structure, which is reinforced by C—H...π interactions.

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.

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