Fluorenone Organic Crystals: Two-Color Luminescence Switching and Reversible Phase Transformations between π–π Stacking-Directed Packing and Hydrogen Bond-Directed Packing

2014 ◽  
Vol 26 (7) ◽  
pp. 2467-2477 ◽  
Author(s):  
Mao-Sen Yuan ◽  
Dong-En Wang ◽  
Pengchong Xue ◽  
Wenji Wang ◽  
Jian-Chun Wang ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Phase Transformations ◽  
Organic Crystals ◽  
Π Stacking ◽  
Reversible Phase

Hydrogen bond and π stacking assisted formation of tris(oxalato)ferrate(III) based crystals of heteronuclear compounds

Polyhedron ◽  
2011 ◽  
Vol 30 (1) ◽  
pp. 169-177 ◽  
Author(s):  
Tadeusz M. Muzioł ◽  
Grzegorz Wrzeszcz ◽  
Łukasz Chrząszcz
Keyword(s):  
Hydrogen Bond ◽  
Π Stacking

scholarly journals Reversible Phase Transformations during In-Situ Heating of Uncapped Ge2Sb2Te5 Films

2021 ◽  
Vol 27 (S1) ◽  
pp. 2412-2414
Author(s):  
Chanchal Ghosh ◽  
Manish Singh ◽  
Paul Kotula ◽  
Helena Silva ◽  
C. Barry Carter
Keyword(s):  
Phase Transformations ◽  
In Situ Heating ◽  
Reversible Phase

Hydrogen-Bond-Assisted π-Stacking of Shape-Persistent Cyclophanes

2002 ◽  
Vol 67 (22) ◽  
pp. 7761-7768 ◽  
Author(s):  
Chih-Hsiu Lin ◽  
James Tour
Keyword(s):  
Hydrogen Bond ◽  
Π Stacking

Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I...O interactions and aromatic π...π stacking interactions

2001 ◽  
Vol 58 (1) ◽  
pp. 94-108 ◽  
Author(s):  
Craig J. Kelly ◽  
Janet M. S. Skakle ◽  
James L. Wardell ◽  
Solange M. S. V. Wardell ◽  
John N. Low ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Space Group ◽  
Rotation Axes ◽  
Π Stacking ◽  
Structural Database ◽  
A Chain

Molecules of N-(4′-iodophenylsulfonyl)-4-nitroaniline, 4-O2NC6H4NHSO2C6H4I-4′ (1), are linked by three-centre I...O2N interactions into chains and these chains are linked into a three-dimensional framework by C—H...O hydrogen bonds. In the isomeric N-(4′-nitrophenylsulfonyl)-4-iodoaniline, 4-IC6H4NHSO2C6H4NO2-4′ (2), the chains generated by the I...O2N interactions are again linked into a three-dimensional framework by C—H...O hydrogen bonds. Molecules of N,N-bis(3′-nitrophenylsulfonyl)-4-iodoaniline, 4-IC6H4N(SO2C6H4NO2-3′)2 (3), lie across twofold rotation axes in space group C2/c and they are linked into chains by paired I...O=S interactions: these chains are linked into sheets by a C—H...O hydrogen bond, and the sheets are linked into a three-dimensional framework by aromatic π...π stacking interactions. In N-(4′-iodophenylsulfonyl)-3-nitroaniline, 3-O2NC6H4NHSO2C6H4I-4′ (4), there are R^2_2(8) rings formed by hard N—H...O=S hydrogen bonds and R^2_2(24) rings formed by two-centre I...nitro interactions, which together generate a chain of fused rings: the combination of a C—H...O hydrogen bond and aromatic π...π stacking interactions links the chains into sheets. Molecules of N-(4′-iodophenylsulfonyl)-4-methyl-2-nitroaniline, 4-CH3-2-O2NC6H3NHSO2C6H4I-4′ (5), are linked by N—H...O=S and C—H...O(nitro) hydrogen bonds into a chain containing alternating R^2_2(8) and R^2_2(10) rings, but there are no I...O interactions of either type. There are two molecules in the asymmetric unit of N-(4′-iodophenylsulfonyl)-2-nitroaniline, 2-O2NC6H4NHSO2C6H4I-4′ (6), and the combination of an I...O=S interaction and a hard N—H...O(nitro) hydrogen bond links the two types of molecule to form a cyclic, centrosymmetric four-component aggregate. C—H...O hydrogen bonds link these four-molecule aggregates to form a molecular ladder. Comparisons are made with structures retrieved from the Cambridge Structural Database.

A multifunctional material with distinct mechanochromic and piezochromic properties: π-stacking in play

2021 ◽  
Author(s):  
Zeyang Ding ◽  
Tong Lu ◽  
Changjiang Bi ◽  
Bao Li ◽  
Shitong Zhang ◽  
...  
Keyword(s):  
Organic Crystals ◽  
Multifunctional Material ◽  
Π Stacking ◽  
Different Types

Controlling different types of forces to achieve materials with different emission responses remains challenge. In this work, polymorphic organic crystals with blue (1-B) and green (1-G) emission based on N-(4-(1-cyano-2-phenylvinyl)phenyl)benzamide...

scholarly journals Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 4-(furan-2-yl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

2021 ◽  
Vol 77 (8) ◽  
pp. 834-838
Author(s):  
Mohamed El Hafi ◽  
Sanae Lahmidi ◽  
Lhoussaine El Ghayati ◽  
Tuncer Hökelek ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Energy Calculation ◽  
Boat Conformation ◽  
Stacking Interactions ◽  
Π Stacking

The title compound {systematic name: (S,E)-3-[4-(furan-2-yl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-2-ylidene]-6-methyl-2H-pyran-2,4(3H)-dione}, C19H16N2O4, is constructed from a benzodiazepine ring system linked to furan and pendant dihydropyran rings, where the benzene and furan rings are oriented at a dihedral angle of 48.7 (2)°. The pyran ring is modestly non-planar [largest deviation of 0.029 (4) Å from the least-squares plane] while the tetrahydrodiazepine ring adopts a boat conformation. The rotational orientation of the pendant dihydropyran ring is partially determined by an intramolecular N—HDiazp...ODhydp (Diazp = diazepine and Dhydp = dihydropyran) hydrogen bond. In the crystal, layers of molecules parallel to the bc plane are formed by N—HDiazp...ODhydp hydrogen bonds and slipped π–π stacking interactions. The layers are connected by additional slipped π–π stacking interactions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (46.8%), H...O/O...H (23.5%) and H...C/C...H (15.8%) interactions, indicating that van der Waals interactions are the dominant forces in the crystal packing. Computational chemistry indicates that in the crystal the N—H...O hydrogen-bond energy is 57.5 kJ mol−1.

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 Isomers and polymorphs of (E,E)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes

2006 ◽  
Vol 62 (4) ◽  
pp. 666-675 ◽  
Author(s):  
Christopher Glidewell ◽  
John N. Low ◽  
Janet M. S. Skakle ◽  
James L. Wardell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Space Group ◽  
Stacking Interaction ◽  
Space Groups ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
Polymorphic Forms

The structures of five of the possible six isomers of (E,E)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadiene are reported, including two polymorphs of one of the isomers. (E,E)-1,4-Bis(2-nitrophenyl)-2,3-diaza-1,3-butadiene, C14H10N4O4 (I), crystallizes in two polymorphic forms (Ia) and (Ib) in which the molecules lie across centres of inversion in space groups P21/n and P21/c, respectively: the molecules in (Ia) and (Ib) are linked into chains by aromatic π...π stacking interactions and C—H...π(arene) hydrogen bonds, respectively. Molecules of (E,E)-1-(2-nitrophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene (II) are linked into sheets by two independent C—H...O hydrogen bonds. The molecules of (E,E)-1,4-bis(3-nitrophenyl)-2,3-diaza-1,3-butadiene (III) lie across inversion centres in the space group P21/n, and a combination of a C—H...O hydrogen bond and a π...π stacking interaction links the molecules into sheets. A total of four independent C—H...O hydrogen bonds link the molecules of (E,E)-1-(3-nitrophenyl)-4-(4-nitrophenyl)-2,3-diaza-1,3-butadiene (IV) into sheets. In (E,E)-1,4-bis(4-nitrophenyl)-2,3-diaza-1,3-butadiene (V) the molecules, which lie across centres of inversion in the space group P21/n, are linked by just two independent C—H...O hydrogen bonds into a three-dimensional framework.

Supramolecular structures of N 4-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines

2003 ◽  
Vol 59 (2) ◽  
pp. 263-276 ◽  
Author(s):  
Manuel Melguizo ◽  
Antonio Quesada ◽  
John N. Low ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Electronic Structures ◽  
Supramolecular Structure ◽  
Supramolecular Structures ◽  
Stacking Interactions ◽  
Molecular Electronic ◽  
Π Stacking

The molecular and supramolecular structures of eight N 4-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines are discussed, along with one analogue containing no nitroso substituent. The nitroso derivatives all exhibit polarized molecular-electronic structures leading to extensive charge-assisted hydrogen bonding between the molecules. The intermolecular interactions include hard hydrogen bonds of N—H...O and N—H...N types, together with O—H...O and O—H...N types in the monohydrate of 2-amino-6-benzyloxy-4-piperidino-5-nitrosopyrimidine, soft hydrogen bonds of C—H...O, C—H...π(arene) and N—H...π(arene) types and aromatic π...π stacking interactions. The predominant supramolecular structure types take the form of chains and sheets, but no two of the structures determined here exhibit the same combination of hydrogen-bond types.

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