scholarly journals 8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5H-1-oxa-2,4-diazaacenaphthylene

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
Akoun Abou ◽  
Fanté Bamba ◽  
Jérôme Marrot ◽  
Soro Yaya ◽  
Jean-Marie Coustard
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Acute Angle ◽  
Dihedral Angles ◽  
Isoxazole Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the tricyclic title compound, C11H12N2OS, the 2,3,4,5-tetrahydropyridine ring adopts a half-chair conformation. This ring makes dihedral angles of 27.72 (7) and 45.17 (7)°, respectively, with the isoxazole and the cyclohexa-1,3-diene rings while the isoxazole ring is oriented at an acute angle of 63.46 (7)° with respect to the cyclohexa-1,3-diene ring. In the crystal, molecules associate via C—H...N hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]-2-oxoacetate

2013 ◽  
Vol 69 (12) ◽  
pp. o1730-o1730
Author(s):  
Jia-liang Zhong ◽  
Wen-xia Sun ◽  
Fu-li Zhang ◽  
Li-hong Liu ◽  
He Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
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 3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Jianchao Xu ◽  
Hewen Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C19H20N4OS, the 1,2,4-triazole ring forms dihedral angles of 58.64 (9) and 87.68 (9)° with the phenyl rings, which are inclined to one another by 43.30 (6)°. In the crystal, molecules are linked by N—H...O, N—H...S and C—H...S hydrogen bonds, forming chains propagating along thec-axis direction. Neighbouring chains are linked by three C—H...π interactions, forming layers parallel to thebcplane. Finally, the layers are linked by a fourth C—H...π interaction, forming a three-dimensional network.

scholarly journals 2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one

IUCrData ◽  
2018 ◽  
Vol 3 (7) ◽  
Author(s):  
Asmae Mahfoud ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Isoxazole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C25H20N2O5, crystallizes with two molecules (A and B) in the asymmetric unit with similar conformations. The five-membered rings are both in envelope conformations with the spiro C atom as the flap. The six-membered heterocycles display half-chair conformations. The mean plane through the isoxazole ring is nearly perpendicular to those through the spiro-chroman system and the 4-nitrophenyl moieties, as indicated by the dihedral angles of 81.42 (9) and 87.58 (8)°, respectively, between them in molecule A. Equivalent data for molecule B are 75.58 (9) and 84.15 (8)°, respectively. The p-tolyl plane makes a dihedral angles of 24.10 (9) and 28.78 (8)° with the isoxazole ring in molecules A and B, respectively. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds and C—H...π interaction, forming a three-dimensional network.

scholarly journals 2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione

2014 ◽  
Vol 70 (3) ◽  
pp. o287-o287
Author(s):  
Mi Zhou ◽  
Ying Shao ◽  
Yong-an Xia ◽  
Xiao-Long Liu ◽  
Xiao-Qiang Sun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Ring System ◽  
Piperazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H19N3O2, the piperazine ring adopts a chair conformation, with its N—C bonds in pseudo-equatorial orientations. The dihedral angle between the C atoms of the piperazine ring and the phthalamide ring system (r.m.s. deviaiton = 0.008 Å) is 89.30 (8)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating a three-dimensional network and aromatic π–π interactions also occur [centroid–centroid distances = 3.556 (1)–3.716 (1) Å].

scholarly journals 5-(2-Methylfuran-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Santosh Paswan ◽  
Manoj K. Bharty ◽  
Sushil K. Gupta ◽  
Ray J. Butcher ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Furan Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C13H11N3O2, the furan ring is disordered over two orientations, with occupancies of 0.902 (2) and 0.098 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and the furan ring (major disorder component) are 10.12 (11) and 1.76 (15)°, respectively. A short intramolecular C—H...O contact generates anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generateR22(8) loops. The dimers are linked by C—H...π and π–π interactions [range of centroid–centroid distances = 3.301 (7)–3.689 (1) Å], generating a three-dimensional network.

scholarly journals (E)-4-(Benzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethylidene)aniline hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Li Hong ◽  
Zhang Xin
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzothiazole Derivative ◽  
Compound C ◽  
Dimensional Network

The title compound, C19H13N3S·0.5H2O, is a benzothiazole derivative that crystallized as a hemihydrate, the water O atom being situated on a twofold rotation axis. The dihedral angles between the central benzene ring and the benzothiazole (r.m.s. deviation = 0.012 Å) and pyridine rings are 3.57 (6) and 10.12 (8)°, respectively, indicating that the molecule is nearly planar. The conformation about the N=C bond is E. In the crystal, molecules are linked by Owater—H...Npyridine hydrogen bonds, forming dimers, which in turn are linked by C—H...O hydrogen bonds into layers parallel to the ab plane. The layers are linked by offset π–π interactions, forming a three-dimensional network [shortest intercentroid distance = 3.721 (2) Å].

scholarly journals Methyl 4-O-benzyl-α-L-rhamnopyranoside

2014 ◽  
Vol 70 (5) ◽  
pp. o561-o562 ◽  
Author(s):  
Robert Pendrill ◽  
Lars Eriksson ◽  
Göran Widmalm
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H20O5, an intermediate in the synthesis of oligosaccharides, the glycosidic [H—C—O—C(H3)] torsion angle φHis 52.3° and theexo-cyclic [H—C—O—C(H2)] torsion angle θHis −11.7°. The hexapyranose ring has a chair conformation. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains propagating along [010]. Enclosed within the chains areR33(12) ring motifs involving three molecules. The chains are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 2-bromo-4,6-dinitroaniline

2015 ◽  
Vol 71 (11) ◽  
pp. o813-o813
Author(s):  
Gihaeng Kang ◽  
Tae Ho Kim ◽  
Eui-Jae Lee ◽  
Chang Ho Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Additional Stability ◽  
Weak Side

In the title compound, C6H4BrN3O4, the dihedral angles between the nitro groups and the aniline ring are 2.04 (3) and 1.18 (4)°, respectively. In the crystal, N—H...O and C—H...O hydrogen bonds and weak side-on C—Br...π interactions [3.5024 (12) Å] link adjacent molecules, forming a three-dimensional network. A close O...Br contact [3.259 (2) Å] may also add additional stability.

scholarly journals Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

2015 ◽  
Vol 71 (11) ◽  
pp. o880-o881 ◽  
Author(s):  
Santosh Paswan ◽  
Manoj K. Bharty ◽  
Sanyucta Kumari ◽  
Sushil K. Gupta ◽  
Nand K. Singh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Furan Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H9N3O2, was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intramolecular C—H...O contact generates anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generateR22[8] loops. The dimers are linked by C—H...π and π–π interactions [range of centroid–centroid distances = 3.291 (2)–3.460 (8) Å], generating a three-dimensional network.

scholarly journals Benzyl 2-(benzylsulfanyl)benzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o285-o286
Author(s):  
Zorica Leka ◽  
Sladjana B. Novaković ◽  
Goran A. Bogdanović ◽  
Gordana P. Radić ◽  
Zoran R. Ratković
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C21H18O2S, the central aromatic ring makes dihedral angles of 5.86 (12) and 72.02 (6)° with the rings of the terminalO-benzyl andS-benzyl groups, respectively. The dihedral angle between the peripheral phenyl rings is 66.16 (6)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers. These dimers are linkedviaC—H...π interactions, forming a three-dimensional network.

Sign in / Sign up

Export Citation Format

Share Document