scholarly journals 6-[(tert-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-c]furan-1(3H)-one

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
Matthias Weil ◽  
Thomas Kremsmayr ◽  
Marko D. Mihovilovic
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Furan Ring ◽  
Central Ring ◽  
Π Interactions ◽  
Compound C ◽  
Tricyclic Core ◽  
Adjacent Molecule ◽  
Vinyl Group

The tricyclic core in the title compound, C26H34O4Si2, shows disorder of the furan ring and deviates slightly from planarity, with the largest displacement from the least-squares plane [0.166 (2) Å] for the major disordered part of the methine C atom. To this C atom the likewise disordered vinyl group is attached, lying nearly perpendicular to the tricyclic core. In the crystal, mutual C—H...π interactions between the methine group of the furan ring and the central ring of the tricyclic core of an adjacent molecule lead to inversion-related dimers.

scholarly journals Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis(furan-2-yl)-4-hydroxy-4-(thiophen-2-yl)cyclohexane-1,3-diyl]bis(thiophen-2-ylmethanone)

2016 ◽  
Vol 72 (7) ◽  
pp. 976-979 ◽  
Author(s):  
Ísmail Çelik ◽  
Cem Cüneyt Ersanlı ◽  
Mehmet Akkurt ◽  
Hayrettin Gezegen ◽  
Rahmi Köseoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Furan Ring ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C28H22O5S3, the central cyclohexane ring adopts a chair conformation. The atoms of the furan ring attached to the 6-position of the central cyclohexane ring are disordered over two sets of sites with occupancies of 0.832 (5) and 0.168 (5). The hydroxy group is disordered over two positions (at the 4- and 6-positions of the cyclohexane ring) in the ratio 0.832 (5):0.168 (5). In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, forming layers parallel to (100).

scholarly journals 12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1H-5-oxatetraphen-1-one: crystal structure and Hirshfeld surface analysis

2016 ◽  
Vol 72 (6) ◽  
pp. 809-814
Author(s):  
Mukesh M. Jotani ◽  
P. Iniyavan ◽  
V. Vijayakumar ◽  
S. Sarveswari ◽  
Yee Seng Tan ◽  
...  
Keyword(s):  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C26H24O5, the pyran ring has a flattened-boat conformation, with the 1,4-related ether O and methine C atoms lying 0.1205 (18) and 0.271 (2) Å, respectively, above the least-squares plane involving the doubly bonded C atoms (r.m.s deviation = 0.0208 Å). An envelope conformation is found for the cyclohexene ring, with the flap atom being the middle methylene C atom, lying 0.616 (2) Å out of the plane defined by the remaining atoms (r.m.s. deviation = 0.0173 Å). The fused four-ring system is approximately planar, with the dihedral angle between the least-squares planes through the cyclohexene and naphthyl rings being 10.78 (7)°. The trisubstituted benzene ring occupies a position almost perpendicular to the pyran ring [dihedral angle = 83.97 (4)°]. The most prominent feature of the packing is the formation of zigzag supramolecular chains mediated by aryl-C—H...O(methoxy) interactions; chains are connected into a three-dimensional architecture by methylene- and methyl-C—H...π interactions. The prevalence of C—H...O and C—H...π interactions is confirmed by an analysis of the Hirshfeld surface. A comparison with related structures suggests that the molecular conformation of the title compound is relatively robust with respect to varying substitution patterns at the methine C atom of the pyran ring.

scholarly journals 9-[3-(Dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol

2013 ◽  
Vol 69 (2) ◽  
pp. o175-o175
Author(s):  
Manpreet Kaur ◽  
Ray J. Butcher ◽  
Mehmet Akkurt ◽  
H. S. Yathirajan ◽  
B. Nagaraj
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Central Ring ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The asymmetric unit of the title compound, C21H27NO, contains two molecules (AandB). In moleculeA, the central ring of the anthrone unit adopts a shallow boat conformation and the dihedral angle between the benzene rings is 18.96 (7)°. In moleculeB, the central ring is close to being planar (r.m.s. deviation = 0.078 Å) and the dihedral angle between the aromatic rings is 7.82 (7)°. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming zigzagC(7) chains of alternatingAandBmolecules running parallel to [100]. The structure also features weak C—H...O and C—H...π interactions.

5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidine

2006 ◽  
Vol 62 (4) ◽  
pp. o1310-o1311 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Planar Symmetry

The molecules in the title compound, C7H8N4, are linked into sheets by a combination of C—H...N hydrogen bonds and π–π interactions. The hydrogen bonds generate two-dimensional networks with a C(6) chain motif. There are two planar symmetry-independent molecules in the asymmetric unit, with a dihedral angle of 4.29 (8)° between their least-squares mean planes.

scholarly journals 2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide

2014 ◽  
Vol 70 (7) ◽  
pp. o822-o823
Author(s):  
Poonam Rajesh Prasad ◽  
Shikha Das ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Benzimidazole Ring ◽  
Central Ring ◽  
Π Interactions ◽  
Amide Linkage ◽  
Compound C

In the title compound, C27H29BrN4O, benzimidazole ring system and the amide moiety are planar [r.m.s. deviations = 0.016 (2) and 0.017 (1) Å, respectively]. The molecule adopts a conformation in which the amide linkage is almost perpendicular to the central ring [dihedral angle = 85.79 (8)°], while the benzimidazole ring system makes a dihedral angle of 70.26 (11)° with the central ring. In the crystal, the molecules form dimers through N—H...O hydrogen bonds and C—H...O interactions. These dimers are further linked into zigzag ribbons along [201] by weak C—H...Br interactions. As a result of the bulky nature of the molecule, as evidenced by the large dihedral angles between rings, there is little evidence for any π–π interactions.

scholarly journals 2,3-Dihydropyrrolo[2,1-b]quinazoline-9(1H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1746-o1746 ◽  
Author(s):  
Azizbek O. Nasrullayev ◽  
Burkhon Zh. Elmuradov ◽  
Kambarali K. Turgunov ◽  
Bakhodir Tashkhodjaev ◽  
Khusnutdin M. Shakhidoyatov
Keyword(s):  
Title Compound ◽  
Membered Ring ◽  
The Other ◽  
Central Ring ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the crystal, molecules of the title compound, C11H10N2S, are connected by C—H...N interactions around threefold axes. Furthermore, they form stacks along the c axis showing π–π interactions between pyrimidine rings [centroid–centroid distance = 3.721 (1) Å]. The central ring is essentially planar with an r.m.s. deviation of 0.007 Å. The five-membered ring adopts an envelope conformation with the flap atom deviating by 0.241 (4) Å from the mean plane (r.m.s. deviation = 0.002 Å) through the other four ring atoms.

scholarly journals 1-(4-Bromophenylsulfonyl)-2-methylnaphtho[2,1-b]furan

2012 ◽  
Vol 68 (8) ◽  
pp. o2324-o2324 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Furan Ring ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C19H13BrO3S, the 4-bromophenyl ring makes a dihedral angle of 64.11 (2)° with the mean plane [r.m.s. deviation = 0.01 (2) Å] of the naphthofuran ring. In the crystal, molecules are linked by weak C—H...O and C—H...π interactions. The crystal structure also exhibits slipped π–π interactions between the central naphthofuran benzene rings of neighbouring molecules [centroid–centroid distance = 3.559 (2), slippage = 1.036 (2) Å], and between the central naphthofuran benzene ring and the furan ring of neighbouring molecules [centroid–centroid distance = 3.655 (2), slippage = 1.136 (2) 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)-3-[4-(Hexyloxy)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one

2009 ◽  
Vol 65 (6) ◽  
pp. o1301-o1302 ◽  
Author(s):  
Zainab Ngaini ◽  
Siti Muhaini Haris Fadzillah ◽  
Hasnain Hussain ◽  
Ibrahim Abdul Razak ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Hydroxy Groups

In the title compound, C21H24O3, the conformation of the enone group iss–cis. The benzene rings are inclined at an angle of 7.9 (1)°. The alkoxy tail is planar, with a maximum deviation from the least-squares plane of 0.009 (2) Å, and adopts atransconformation throughout. An intramolecular O—H...O interaction between the keto and hydroxy groups formsS(6) ring motifs. In the crystal, molecules are arranged in a head-to-tail manner down theaaxis and are subsequently stacked along thebaxis, forming molecular sheets parallel to theabplane. The crystal structure is further stabilized by weak C—H...π interactions and short C...O [3.376 (2) Å] contacts.

scholarly journals Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-b]benzo[h]quinoline-9-carboxylate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Etify A. Bakhite ◽  
Manpreet Kaur ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Jerry P. Jasinski ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Furan Ring ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Unit Form ◽  
Independent Molecules ◽  
Molecular Layers

In the title compound, C22H18N2O3S, the two independent molecules in the asymmetric unit form a dimerviaN—H...O hydrogen bonds. In the crystal, the molecular layers can be found in the (110) plane, connected by C—H...π interactions. Atoms of the furan ring of one independent molecule are disordered over two sets of sites with an occupancy ratio 0.735 (3):0.265 (3).

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