scholarly journals A second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Lisanne Becker ◽  
Kai Altenburger ◽  
Anke Spannenberg ◽  
Perdita Arndt ◽  
Uwe Rosenthal
Keyword(s):  
Title Compound ◽  
Membered Ring ◽  
Stacking Interactions ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Π Stacking ◽  
The Press ◽  
Thiadiazole Ring

The title compound, C12H6Br2N4S, a second polymorph in the triclinic space groupP-1, is presented. As in the earlier reported monoclinic polymorph in the space groupC2/c[Beckeret al.(2016).Chem. Eur. J.In the press], the thiadiazole ring is planar with an r.m.s. deviation of 0.004 Å. The five-membered ring is tilted with respect to the two pyridyl substituents by 23.16 (7) and 49.47 (9)°. In the crystal, molecules are linked by a weak non-bonding Br...N interaction [3.056 (3) Å]. Furthermore, a column of molecules is established along thebaxis by π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.7014 (16) and 3.5934 (15) Å]. Additionally, a short intermolecular Br...Br contact [3.3791 (6) Å] and Br...π-aryl contacts [3.6815 (11)–3.7659 (12) Å] towards the thiadiazole and pyridine rings are found.

Crystal Structure of 4-(1-Hydroxypropyl)- isochroman-1,3-dione

2009 ◽  
Vol 64 (3) ◽  
pp. 328-330 ◽  
Author(s):  
Akoun Abou ◽  
Severin D. Goulizan Bi ◽  
Leopold Kaboré ◽  
Abdoulaye Djandé ◽  
Adama Saba ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Π Stacking

The title compound (C12H10O4) crystallizes in the triclinic space group P1̄ with a = 7.367(3), b = 8.1188(3), c = 9.549(5) Å, α = 74.034(1)°, β = 84.374(2)°, γ = 64.581(3)°, Z = 2, and dcalc = 1.462 g cm−3. It exhibits a strong intramolecular O-H···O hydrogen bond and exists as the exocyclic enolic tautomer as it has been observed in solution. The structure is stabilized by C-H···π, C-O···π and π-π stacking interactions between benzene and pyran rings.

scholarly journals 4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2H-chromen-2-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2413-o2414
Author(s):  
Reshma Naik ◽  
Ravish Sankolli ◽  
G. N. Anil Kumar ◽  
T. N. Guru Row ◽  
Manohar V. Kulkarni
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Side Chains ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

In the title compound, C15H19NO5, an intramolecular O—H...O hydrogen bond links the hydroxyethyl side chains, forming a seven-membered ring. In the crystal, molecules are linked into chainsviaO—H...O hydrogen bonds along thebaxis. Further, molecules are linked by weak intermolecular C—H...O and π–π stacking interactions [centroid–centroid distance = 3.707 (4) Å].

scholarly journals 1,2,3,5-Tetrahydronaphtho[2,1-c]oxepine

IUCrData ◽  
2020 ◽  
Vol 5 (3) ◽  
Author(s):  
Alan J. Lough ◽  
Austin Pounder ◽  
Christopher Wicks ◽  
William Tam
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Stacking Interactions ◽  
Naphthalene Ring ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Ring Centroid

In the title compound, C14H14O, the seven-membered ring is in a pseudo-chair conformation. In the crystal, molecules are linked by weak C—H...O hydrogen bonds forming layers parallel to (010). In addition, there are weak π–π stacking interactions between inversion-related naphthalene ring systems, with a ring centroid–ring centroid distance of 3.518 (5) Å.

15a,15b-Dihydro-5H,7H,9H,14H,17H-15,16-methanodibenzo[e]diazepino[2,3-c;3′,2′-e]imidazole-7,18-dione

2007 ◽  
Vol 63 (11) ◽  
pp. o4480-o4480
Author(s):  
Yan Hu ◽  
Bao-han Zhou ◽  
Li-ping Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Membered Ring ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings ◽  
Molecular Clip

The title compound, C20H18N4O2, is a molecular clip based on the glycoluril framework. The two benzene rings are each fused to a seven-membered ring; these rings bind four of the N atoms from separate rings of the glycoluril system to form the sidewalls of the molecular clip. The crystal packing is stabilized by non-classical C—H...O hydrogen bonds. There are no π–π stacking interactions in the crystal structure. The molecule provides a model with approximate non-crystallographic C 2v symmetry.

scholarly journals Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

scholarly journals 2-Oxo-2H-chromen-7-yl 4-methylbenzoate

IUCrData ◽  
2018 ◽  
Vol 3 (7) ◽  
Author(s):  
Abdoulaye Djandé ◽  
Akoun Abou ◽  
Félix Kini ◽  
Konan René Kambo ◽  
Michel Giorgi
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Acute Angle ◽  
Membered Ring ◽  
Hirshfeld Surface ◽  
Supramolecular Interactions ◽  
Stacking Interactions ◽  
Weak Hydrogen Bond ◽  
Compound C ◽  
Benzene Rings

In the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid-to-centroid distances in the range 3.6286 (1)–3.6459 (1) Å] and C=O...π interactions [O...centroid distances in the range 3.2938 (1)–3.6132 (1) Å]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions.

5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone

2006 ◽  
Vol 62 (7) ◽  
pp. o3026-o3027 ◽  
Author(s):  
Hong-Mei Xu ◽  
Shi-Xiong Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The molecule of the title compound, C14H11N3O5, is approximately planar, the dihedral angles between the two aromatic rings being 4.63 (7)°. O—H...N, N—H...O and O—H...O hydrogen bonds and π–π stacking interactions help to consolidate the crystal packing.

scholarly journals 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (7) ◽  
pp. o804-o804
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Type I ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Cl Atoms

In the title compound, C11H7ClO3, a chlorinated and methylated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670 Å), with the largest deviation from the least-squares plane [0.2349 (17) Å] being for the pyran carbonyl O atom. In the crystal, molecules are linked through π–π stacking interactions along theaaxis [centroid–centroid distance between the pyran rings = 3.824 (6) Å] and two stacks are connected by type I halogen–halogen interactions between the Cl atoms [Cl...Cl = 3.397 (3) Å].

scholarly journals 6,8-Diiodo-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o536-o536
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Halogen Bonds ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

The title compound, C10H4I2O3, is an iodinated 3-formylchromone derivative, and the atoms are essentially coplanar [r.m.s. deviation = 0.049 Å, largest deviation from the least-squares plane = 0.111 (9) Å for the CH(=O) C atom]. In the crystal, molecules are linked into a three-dimensional network through halogen bonds [I...O = 3.352 (5) and 3.405 (7) Å, C—I...O = 144.2 (3) and 154.5 (3)°, and C=O...I = 134.9 (6) and 146.0 (6)°], and π–π stacking interactions [centroid–centroid distance = 3.527 (6) Å].

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