scholarly journals Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1)

2012 ◽  
Vol 68 (6) ◽  
pp. o1906-o1906 ◽  
Author(s):  
Farouq F. Said ◽  
Basem F. Ali ◽  
Darrin Richeson ◽  
Ilia Korobkov
Keyword(s):  
Hydrogen Bonds ◽  
Fumaric Acid ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Carboxyl Groups ◽  
Acid Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Carboxylate Groups ◽  
Dimensional Network

The asymmetric unit of the title compound, C10H24N3 +·0.5C4H2O4 2−·0.5C4H4O4, comprises a triisopropylguanidinium cation, half of a fumarate dianion and half of a fumaric acid molecule; both the fumarate dianion and the fumaric acid molecule are located on inversion centres. In the crystal, intermolecular O—H...O hydrogen bonds between the carboxyl groups of the fumaric acid molecules and the carboxylate groups of the fumarate anions lead to the formation of a hydrogen-bonded supramolecular twisted chain along the b axis. The triisopropylguanidinium cations interact with the fumarate–fumaric acid chains via extensive N—H...O and C—H...O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate–fumaric acid. The crystal packing is stabilized by N—H...O and C—H...O (cation...fumarate/fumaric) and O—H...O (fumarate...fumaric) hydrogen bonds, consolidating a three-dimensional network.

scholarly journals 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1180-o1180 ◽  
Author(s):  
A. S. Dayananda ◽  
H. S. Yathirajan ◽  
Ulrich Flörke
Keyword(s):  
Hydrogen Bond ◽  
Salicylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Hydroxybenzoic Acid ◽  
Acid Molecule ◽  
Compound C ◽  
Dimensional Network

The title compound, C17H19F2N2+·C7H5O3−·C7H6O3, is a co-crystal from 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intramolecular O—H...O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H...O), as well as between the salicylic acid molecule and anion (O—H...O), giving rise to a three-dimensional network.

Br...O contacts and π–π stacking dominate the packing in methyl 4-bromo-3,5-dimethoxybenzoate

2013 ◽  
Vol 69 (7) ◽  
pp. 790-793 ◽  
Author(s):  
Aamer Saeed ◽  
Muhammad Qasim ◽  
Jim Simpson
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Planar Molecules ◽  
Π Stacking Interaction

The title compound, C10H11BrO4, a useful precursor to pharmaceutically active isocoumarin and isochroman derivatives, crystallizes with two unique molecules in the asymmetric unit. A π–π stacking interaction links the planar molecules in the asymmetric unit. Additional π–π contacts stack pairs of molecules along thecaxis. A feature of the crystal packing is the presence of a number of short Br...O contacts. A particularly unusual arrangement involves the formation of dimers, with pairs of Br...O contacts imposing a close Br...Br interaction and generating five-membered rings within an eight-membered ring formed by two Br...O contacts. Only two comparable arrangements have been reported previously. The Br...O contacts combine with weak C—H...O hydrogen bonds to form corrugated sheets of molecules approximately parallel to (001). These sheets are stacked along thecaxis by π–π interactions to generate a three-dimensional network.

scholarly journals 2,6-Dihydroxy-4-oxo-2-(pyridin-1-ium-3-yl)-4H-1,3,2-benzodioxaborinin-2-ide 0.67-hydrate

2014 ◽  
Vol 70 (4) ◽  
pp. o388-o389
Author(s):  
Blanca A. Garcia-Grajeda ◽  
Herbert Höpfl ◽  
Jorge A. Guerrero-Alvarez ◽  
José J. Campos-Gaxiola ◽  
Adriana Cruz-Enríquez
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Water Molecules ◽  
Tetrahedral Coordination ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Boronic Esters ◽  
Acid Esters

The asymmetric unit of the title compound, C12H10BNO5·0.67H2O, contains three independent pyridinylboronic acid esters adopting zwitterionic forms and two water molecules. The six-membered heterocyclic rings in the boronic esters have half-chair conformations and the deviations of the B atoms from the boronate mean planes range from 0.456 (3) to 0.657 (3) Å. All of the B atoms have tetrahedral coordination environments, with B—O and B—C bond lengths of 1.446 (4)–1.539 (3) and 1.590 (5)–1.609 (5) Å, respectively. In the crystal, the ester and water molecules are linked into a three-dimensional network by a large number of O—H...O, N—H...O and C—H...O hydrogen bonds. The crystal packing is further accomplished by π–π interactions, with centroid–centroid distances of 3.621 (4)–3.787 (4) Å.

scholarly journals Benzene-1,3,5-tricarboxylic acid–pyridinium-2-olate (1/3)

2014 ◽  
Vol 70 (4) ◽  
pp. o453-o454 ◽  
Author(s):  
José J. Campos-Gaxiola ◽  
Felipe Zamora Falcon ◽  
Ramón Corral Higuera ◽  
Herbert Höpfl ◽  
Adriana Cruz-Enríquez
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Tricarboxylic Acid ◽  
Dimensional Structure ◽  
Acid Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Graph Set

The asymmetric unit of the title compound, C9H6O6·3C5H5NO, contains one benzene-1,3,5-tricarboxylic acid molecule (BTA) and three pyridin-2-ol molecules each present in the zwitterion form. In the crystal, these entities are linked through O—H...O−and N+—H...O−hydrogen bonds, forming sheets parallel to (10-1). These layers contain macrocyclic rings of composition [BTA]2[pyol]6and with graph-set notationR68(44), which are stacked alongcthrough π–π interactions [inter-centroid distances = 3.536 (2)–3.948 (3) Å]. They are interconnected by N+—H...O−hydrogen-bonded chains of pyridin-2-ol molecules running parallel toc, forming a three-dimensional network. There are also C—H...O hydrogen bonds present which reinforce the three-dimensional structure.

scholarly journals 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m75-m75 ◽  
Author(s):  
Marwa Mghandef ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hybrid Compound ◽  
Organic Hybrid ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title inorganic–organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4]2−anion, together with a [C10H18N2O]2+cation and a water molecule. Crystal cohesion is achieved through N—H...Cl, O—H...Cl and N—H...O hydrogen bonds between organic cations, inorganic anions and the water molecules, building up a three-dimensional network.

scholarly journals Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tricarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o780-o781 ◽  
Author(s):  
Mohammed Boulhaoua ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Maximum Deviation ◽  
Compound C ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

In the title compound, C19H23N3O8, the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024 (2) Å. The fused-ring system is nearly perpendicular to the three carboxylate groups, with dihedral angles of 90.0 (3), 83.8 (1) and 80.4 (1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425 (17):0.575 (17) and 0.302 (15):0.698 (15). In the crystal, molecules are linked by pairs of C—H...N hydrogen bonds, forming inversion dimers. The dimers are further linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure ofL-tryptophan–fumaric acid–water (1/1/1)

2015 ◽  
Vol 71 (9) ◽  
pp. o661-o662 ◽  
Author(s):  
M. Lydia Caroline ◽  
S. Kumaresan ◽  
P. G. Aravindan ◽  
M. Peer Mohamed ◽  
G. Mani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Fumaric Acid ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Acid Molecule ◽  
Water Solvent ◽  
Compound C ◽  
Tryptophan Molecule

In the title compound, C11H12N2O2·C4H4O4·H2O, the L-tryptophan molecule crystallized as a zwitterion, together with a neutral fumaric acid molecule and a water solvent molecule. In the crystal, the three components are linked by a series of N—H...O, O—H...O and C—H...O hydrogen bonds, forming slabs lying parallel to (001). The slabs are connected by O—H...O hydrogen bonds, involving inversion-related fumaric acid groups, leading to the formation of a three-dimensional structure.

Methyl (2S)-2-[2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]propionate monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1745-o1746
Author(s):  
Ping Yin ◽  
Mao-Lin Hu ◽  
Jing Xiong ◽  
Xiao-Qing Cai
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C10H12FN3O5·H2O, the crystal packing is stabilized by an extensive three-dimensional network of intermolecular O—H...O and N—H...O hydrogen bonds.

scholarly journals (3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2014 ◽  
Vol 70 (3) ◽  
pp. o279-o280
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
R. Ranjith Kumar ◽  
V. Jeyachandran ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Hydroxy Groups

The asymmetric unit of the title compound, C19H16N2O5S, contains four independent molecules (A,B,CandD), with two molecules (BandD) displaying disorder in their methylsulfanyl groups [occupancy ratios of 0.797 (11):0.203 (11) and 0.85 (2):0.15 (2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17 (1), 8.01 (1), 9.44 (1) and 8.87 (1)° in moleculesA,B,CandD, respectively. The 2-pyrroline rings are almost orthogonal to the attached tolyl rings, forming dihedral angles of 73.44 (1), 81.21 (1), 88.18 (8) and 73.94 (1)° for moleculesA,B,CandD, respectively. A weak intramolecular O—H...O interaction is observed in moleculesBandC. The two hydroxy groups in each molecule are involved in intermolecular O—H...O hydrogen bonding. In the crystal, molecules are connectedviaO—H...O and C—H...O hydrogen bonds, forming a complex three-dimensional network.

scholarly journals 1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine

2012 ◽  
Vol 68 (8) ◽  
pp. o2438-o2439 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
D. Munirajasekhar ◽  
M. Himaja ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H12FN3S, consists of two independent molecules with comparable geometries. In one molecule, the 1,3-benzothiazole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, molecules are linkedviaN—H...N, C—H...F and C—H...N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).

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