scholarly journals 4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Bakr F. Abdel-Wahab ◽  
Rizk E. Khidre ◽  
Mohamed S. Mostafa ◽  
Amany S. Hegazy ◽  
...  
Keyword(s):  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Axis Direction ◽  
Compound C

The asymmetric unit of the title compound, C37H28BrClN8S, comprises one molecule. The molecule consists of two ring systems joined by a C—C bond between the dihydropyrazolyl and pyrazolyl rings of the two extended ring systems. The angles between adjacent ring planes of the tolyl–triazolyl–pyrazolyl–phenyl ring system are 48.2 (1), 12.3 (2) and 22.2 (2)°, respectively, with angles of 19.7 (1), 5.6 (2) and 0.9 (2)° between the rings of the chlorophenyl–thiazolyl–dihydropyrazolyl–bromophenyl set. The pyrazolyl and dihydropyrazolyl rings are inclined at 68.3 (1)° to one another. In the crystal, C—H...Cl interactions form chains of molecules parallel to theb-axis direction.

scholarly journals (R*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Srinivasan Bargavi ◽  
Siddan Gouthaman ◽  
Madurai Sugunnalakshmi ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Indole Ring ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C21H17NO2, crystallizes with two independent molecules (AandB) in the asymmetric unit. The indoline ring system is almost planar in both molecules (r.m.s. deviations = 0.020 and 0.024 Å for moleculesAandB, respectively). The benzyl and phenol rings are inclined to the indole ring system by 80.39 (12) and 68.39 (12)° in moleculeA, and by 79.90 (13) and 74.88 (10)° in moleculeB. The aryl rings are inclined to one another by 33.30 (14) and 30.62 (14)° in moleculesAandB, respectively. In the crystal,Amolecules are linked by pairs of O—H...O hydrogen bonds, forming inversion dimers. The same situation is observed for theBmolecules and both sets of inversion dimers encloseR22(14) ring motifs. These dimers stack along thea-axis direction and are linked by offset π–π interactions [intercentroid distance = 3.6802 (13) Å] involvingAandBindole ring systems, forming layers parallel to theabplane.

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 N-Benzyl-2-chloroquinazolin-4-amine

2014 ◽  
Vol 70 (5) ◽  
pp. o554-o554 ◽  
Author(s):  
Tarek Mohamed ◽  
Abdeljalil Assoud ◽  
Praveen P. N. Rao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H12ClN3, contains two independent molecules. The quinazoline ring system in each is essentially planar, with maximum deviations of 0.025 (16) and 0.0171 (16) Å. The dihedral angles between quinazoline ring systems and the phenyl rings are 88.25 (8) and 85.28 (16)° in the two independent molecules. In the crystal, alternating independent molecules are linked by N—H...N hydrogen bonds, forming chains along [001].

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 2-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
R. Vishnupriya ◽  
M. Venkateshan ◽  
J. Suresh ◽  
G. Jaabil ◽  
A. Ponnuswamy ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Triazole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Axis Direction ◽  
Compound C

In the title compound, C21H17N3O2, the triazole ring system is inclined at dihedral angles of 4.14 (18) and 69.24 (11)° with the naphthalene ring system and phenyl ring, respectively. In the crystal, molecules are linked by C—H...O hydrogen bonds into double columns propagating along the b-axis direction.

scholarly journals Ethyl 5-oxo-4-phenyl-5,6-dihydro-4H-1,3,4-oxadiazine-2-carboxylate

2014 ◽  
Vol 70 (6) ◽  
pp. o661-o661
Author(s):  
K. Shubakara ◽  
Chandra ◽  
N. Srikantamurthy ◽  
M. Mahendra ◽  
K. B. Umesha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of title compound, C12H12N2O4, consists of two independent molecules. In each molecule, the oxadiazine ring has a flattened envelope conformation with the methylene C atom as the flap atom, and the ethoxycarbonyl unit is in asyn-periplanarconformation with respect to the oxadiazine ring as indicated by O—C—C=O torsion angles of 1.9 (4) and 2.5 (4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and stacked in a double-column along thea-axis direction.

scholarly journals 1-Methyl-5-nitro-3-phenyl-1H-indazole

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Mohammed Naas ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean

The title compound, C14H11N3O2, crystallizes with two molecules in the asymmetric unit. The indazole ring system and the nitro group are nearly coplanar, with the largest deviations from the mean plane being 0.070 (4) Å in one molecule and 0.022 (3) Å in the second. The dihedral angle between the mean plane through the phenyl ring and the mean plane of the indazole ring system is of 23.24 (18)° in the first molecule and 26.87 (18)° in the second. In the crystal, molecules are linked by two C—H...O hydrogen bonds, forming linear zigzag tapes running along thec-axis direction, and by π–π stacking of molecules along thebaxis, generating a three-dimensional structure.

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 3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane

2012 ◽  
Vol 68 (4) ◽  
pp. o1056-o1057 ◽  
Author(s):  
Samina Khan Yusufzai ◽  
Hasnah Osman ◽  
Aisyah Saad Abdul Rahim ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Title Compound ◽  
Cyano Group ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Axis Direction ◽  
Compound C ◽  
Fused Ring

The asymmetric unit of the title compound, C30H48ClN3O, contains two molecules,AandB. In both molecules, the three cyclohexane rings in the steroid fused ring systems adopt chair conformations, while the cyclopentane rings adopt envelope and twist conformations in moleculesAandB, respectively. In moleculeB, the cyano group is disordered over two orientations with refined site-occupancies of 0.593 (8) and 0.407 (8). An intramolecular C—H...N interaction forms anS(10) ring in both molecules. In the crystal, molecules are linked by N—H...O, C—H...O and C—H...N interactions, resulting is chains propagating along thea-axis direction.

scholarly journals 2,3-Diphenyl-1,3-thiazolidin-4-one

2014 ◽  
Vol 70 (8) ◽  
pp. o847-o847 ◽  
Author(s):  
Hemant P. Yennawar ◽  
John Tierney ◽  
Lee J. Silverberg
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
The Other ◽  
Chiral Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

The title compound, C15H13NOS, is a chiral molecule crystallized as a racemate, with two molecules in the asymmetric unit. In each of the molecules, the five-membered thiazine ring has an envelope conformation, with the S atom forming the flap. In one molecule, the angle between the two phenyl-ring planes is 82.77 (7)°, while in the other it is 89.12 (6)°. In the crystal, molecules are linked into chains along theb-axis direction by C—H...O hydrogen bonds.

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