catena-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ2 N,N′)lead(II)]-di-μ-2-hydroxybenzoato-κ3 O 1,O 1′:O 2;κ3 O 2:O 1,O 1′]

2007 ◽  
Vol 63 (11) ◽  
pp. m2678-m2678 ◽  
Author(s):  
Xiao-Peng Xuan ◽  
Pei-Zheng Zhao
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Intramolecular Hydrogen Bonding ◽  
Polymeric Chain ◽  
Π Interactions ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups

In the title polymeric comound, [Pb(C7H5O3)2(C14H12N2)] n , the PbII atom is located on a twofold rotation axis and is coordinated by two N atoms from one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and six O atoms from four 2-hydroxybenzoate anions. The compound forms a zigzag polymeric chain along the c axis through bridging hydroxy groups of two 2-hydroxybenzoate ligands. The crystal packing is stabilized by the intramolecular hydrogen bonding and π–π interactions between dmphen rings of neighboring molecules, with a distance between the ring planes of 3.385 (3) Å.

1,1-Diphenylbutane-1,3-diol: the First Structurally Characterized Example of an Intramolecularly Hydrogen-Bonded Open-Chain 1,3-diol

1996 ◽  
Vol 49 (11) ◽  
pp. 1251
Author(s):  
CF Carvalho ◽  
DP Arnold ◽  
RC Bott ◽  
G Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Orthorhombic Space Group ◽  
Open Chain ◽  
Space Group ◽  
A Cell ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups ◽  
Hydrogen Bonded

The crystal structure of the asymmetric 1,3-diol 1,1-diphenylbutane-1,3-diol has been determined and refined to a residual R of 0.039 for 795 observed reflections. Crystals are orthorhombic, space group P212121, with four molecules in a cell of dimensions a 9.625(4), b 16.002(3), c 8.834(3) Ǻ. The compound is unique among the known crystallographically characterized open-chain 1,3-diols in having only intramolecular hydrogen bonding involving the hydroxy groups [O-- -O 2.602(5) Ǻ].

scholarly journals Multicentered hydrogen bonding in 1-[(1-deoxy-β-D-fructopyranos-1-yl)azaniumyl]cyclopentanecarboxylate (`D-fructose-cycloleucine')

2019 ◽  
Vol 75 (8) ◽  
pp. 1096-1101 ◽  
Author(s):  
Valeri V. Mossine ◽  
Charles L. Barnes ◽  
Thomas P. Mawhinney
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Side Chain ◽  
Slow Rotation ◽  
H Nmr ◽  
Compound C ◽  
Nmr Data ◽  
Cyclopentane Ring ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups

The title compound, C12H21NO7, (I), is conformationally unstable; the predominant form present in its solution is the β-pyranose form (74.3%), followed by the β- and α-furanoses (12.1 and 10.2%, respectively), α-pyranose (3.4%), and traces of the acyclic carbohydrate tautomer. In the crystalline state, the carbohydrate part of (I) adopts the 2 C 5 β-pyranose conformation, and the amino acid portion exists as a zwitterion, with the side chain cyclopentane ring assuming the E 9 envelope conformation. All heteroatoms are involved in hydrogen bonding that forms a system of antiparallel infinite chains of fused R 3 3(6) and R 3 3(8) rings. The molecule features extensive intramolecular hydrogen bonding, which is uniquely multicentered and involves the carboxylate, ammonium and carbohydrate hydroxy groups. In contrast, the contribution of intermolecular O...H/H...O contacts to the Hirshfeld surface is relatively low (38.4%), as compared to structures of other D-fructose-amino acids. The 1H NMR data suggest a slow rotation around the C1—C2 bond in (I), indicating that the intramolecular heteroatom contacts survive in aqueous solution of the molecule as well.

scholarly journals Ethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

2013 ◽  
Vol 69 (2) ◽  
pp. o299-o300 ◽  
Author(s):  
Sumati Anthal ◽  
Goutam Brahmachari ◽  
Suvankar Das ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonding ◽  
Boat Conformation ◽  
Amino Group ◽  
Π Interactions ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C32H28F2N2O2, the tetrahydropyridine ring adopts a distorted boat conformation. The two fluorophenyl groups are attached to the tetrahydropyridine ring in atransorientation. The dihedral angle between the planes of the fluoro-substituted rings is 57.0 (1)°. The amino group and carbonyl O atom are involved in intramolecular hydrogen bonding. In the crystal, weak C—H...O, C—H...F and C—H...π interactions link the molecules into columns along [010].

N-tert-Butyl-N′-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea, a new TXA2receptor antagonist

2013 ◽  
Vol 69 (8) ◽  
pp. 901-903
Author(s):  
Sylvie-Mireille Bambi-Nyanguile ◽  
Peter Mangwala Kimpende ◽  
Bernard Pirotte ◽  
Luc Van Meervelt
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Theoretical Calculations ◽  
Intramolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Dimer Formation ◽  
Compound C ◽  
Structural Database ◽  
Intramolecular Hydrogen

The title compound, C19H21N3O4S, crystallizes in the space groupP2/cwith two molecules in the asymmetric unit. The conformation of both molecules is very similar and is mainly determined by an intramolecular N—H...O hydrogen bond between a urea N atom and a sulfonyl O atom. The O and second N atom of the urea groups are involved in dimer formationviaN—H...O hydrogen bonds. The intramolecular hydrogen-bonding motif and conformation of the C—SO2—NH(C=O)—NH—C fragment are explored and compared using the Cambridge Structural Database and theoretical calculations. The crystal packing is characterized by π–π stacking between the 5-cyanobenzene rings.

scholarly journals Crystal structure of a supramolecular lithium complex of p-tert-butylcalix[4]arene

2018 ◽  
Vol 74 (5) ◽  
pp. 575-579 ◽  
Author(s):  
Manabu Yamada ◽  
Muniyappan Rajiv Gandhi ◽  
Kazuhiko Akimoto ◽  
Fumio Hamada
Keyword(s):  
Crystal Structure ◽  
Supramolecular Assembly ◽  
Intramolecular Hydrogen Bonding ◽  
Methanol Molecule ◽  
Cone Conformation ◽  
Oh Groups ◽  
Π Interactions ◽  
Lithium Complex ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups

Crystals of a supramolecular lithium complex with a calix[4]arene derivative, namely tetramethanollithium 5,11,17,23-tetra-tert-butyl-25,26,27-trihydroxy-28-oxidocalix[4]arene methanol monosolvate, [Li(CH3OH)4](C44H55O4)·CH3OH or [Li(CH3OH)4]+·(calix[4]arene−)]·CH3OH (where calix[4]arene− represents a mono-anion species because of deprotonation of one H atom of the calixarene hydroxy groups), were obtained from p-tert-butylcalix[4]arene reacted with LiH in tetrahydrofuran, followed by recrystallization from methanol. The asymmetric unit comprises one mono-anionic calixarene molecule, one Li+ cation coordinated to four methanol molecules, and one methanol molecule included in the calixarene cavity. The calixarene molecule maintains a cone conformation by intramolecular hydrogen bonding between one phenoxide (–O−) and three pendent calixarene hydroxy groups (–OH). The coordinated methanol molecules around the metal cation play a significant role in forming the supramolecular assembly. The crystal structure of this assembly is stabilized by three sets of intermolecular interactions: (i) hydrogen bonds involving the –OH and –O− moieties of the calixarene molecules, the –OH groups of the coordinated methanol molecules, and the –OH group of the methanol molecule included in the calixarene cavity; (ii) C—H...π interactions between the calixarene molecules and/or the coordinated methanol molecules; (iii) O—H...π interactions between the calixarene molecule and the included methanol molecule.

scholarly journals Crystal structure of 3,6-dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde

2018 ◽  
Vol 74 (10) ◽  
pp. 1424-1426 ◽  
Author(s):  
Shu Yamazaki ◽  
Kazuki Nishiyama ◽  
Shiomi Yagi ◽  
Tomoyuki Haraguchi ◽  
Takashiro Akitsu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Intramolecular Hydrogen Bonds ◽  
Compound C ◽  
Planar Molecule ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups

The title compound, C10H10O4, was synthesized from tetramethyl-1,4-benzoquinone. In the crystal, the almost planar molecule (r.m.s. deviation = 0.024 Å) forms intramolecular hydrogen bonds between the aldehyde and hydroxy groups and exhibits C 2v symmetry. This achiral molecule crystallizes in the chiral space group P21 with intermolecular O—H...O and C—H...O hydrogen bonding and C—H...π and C=O...π interactions stabilizing the crystal packing.

Sign in / Sign up

Export Citation Format

Share Document