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1.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o339-o341
The crystal structure of the title new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium glutarate monohydrate, C3H7N6+·C5H7O4?·H2O, is built up from singly protonated melaminium residues, mono‐dissociated glutarate ions and water molecules. The melaminium residues are interconnected by four N—H?N hydrogen bonds to form chains. These chains of melaminium residues form a stacking structure. The glutarate anions form a hydrogen‐bonded zigzag polymer of the form [?HOOC(CH2)3COO?HOOC(CH2)3COO?]n. The oppositely charged moieties, i.e. the melaminium and glutarate chains, form two‐dimensional polymeric sheets. These sheets are interconnected by O—H?O hydrogen bonds between the COO? moieties and the water molecules, and these hydrogen bonds stabilize the stacking structure. 相似文献
2.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o455-o459
The crystal structure of the new melaminium salt, hexakis(2,4,6‐triamino‐1,3,5‐triazin‐1‐ium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate, 6C3H7N6+·4H2PO4?·HPO42?·4H2O, is built up from singly protonated melaminium residues, dihydrogenphosphate and monohydrogenphosphate anions, and water molecules. The melaminium residues are interconnected by four N—H?N hydrogen bonds, forming chains along the [001] direction. These chains of melaminium residues form stacks aligned along [100]. The dihydrogenphosphate anions interact with the monohydrogenphosphate anions via the H atoms and, together with hydrogen‐bonded dimers of the water molecules, develop layers parallel to the (010) plane. The oppositely charged moieties interact via multiple N—H?O hydrogen bonds that stabilize the stacking structure. 相似文献
3.
Genivaldo Julio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o112-o114
The crystals of the title new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium acetate acetic acid solvate monohydrate, C3H7N6+·CH3COO?·CH3COOH·H2O, are built up from singly protonated melaminium residues, acetate anions, and acetic acid and water molecules. The melaminium residues are interconnected by N—H?N hydrogen bonds to form chains along the [010] direction. These chains of melaminium residues form stacks aligned along the a axis. The acetic acid molecules interact with the acetate anions via the H atom of their carboxylic acid groups and, together with the water molecules, form layers that are parallel to the (001) plane. The oppositely charged moieties interact via multiple N—H?O hydrogen bonds that stabilize a pseudo‐two‐dimensional stacking structure. 相似文献
4.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1120-1122
The crystals of a new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium chloride hemihydrate, C3H7N6+·Cl?·0.5H2O, are built up from single‐protonated melaminium residues, chloride anions and water molecules. The protonated melaminium cations lie on a twofold axis, while the chloride anions and water molecule lie on the m plane. The melaminium residues are interconnected by N—H?N hydrogen bonds, forming chains parallel to the (001) plane. The chains of melaminium residues form a three‐dimensional network through hydrogen‐bond interactions with chloride anions and water molecules. 相似文献
5.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o211-o214
In the title compound, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium maleate monohydrate, C3H7N6+·C4H3O4−·H2O, containing singly protonated melaminium residues, maleate(1−) anions and water molecules, the components are linked by hydrogen bonds into a three‐dimensional framework structure. The melaminium residues are connected by two pairs of N—H⋯N hydrogen bonds into chains in the form of stacks, with a distance of 3.26 (1) Å between the triazine rings, clearly indicating π–π interactions. The maleate anion contains an intramolecular O—H⋯O hydrogen bond and the anions interact with the water molecules via O—H⋯O hydrogen bonds, forming zigzag chains, also in the form of stacks, in which the almost‐planar maleate anions are separated by 3.26 (1) Å. The experimental geometries of the ions are compared with molecular‐orbital calculations of their gas‐phase geometries. 相似文献
6.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
7.
Debbie Cannon Christopher Glidewell John N. Low Antonio Quesada James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):216-221
4-Methyl-2-nitroaniline, (I), C7H8N2O2, crystallizes with two molecules in the asymmetric unit. The molecules both form intramolecular N—H⃛O hydrogen bonds and they are linked into hydrogen-bonded C22(12) chains in which the two independent molecules alternate. 4,5-Dimethyl-2-nitroaniline, (II), C8H10N2O2, also has Z′ = 2 and the two independent molecules each form hydrogen-bonded C(6) chains. In 4-methyl-3-nitroaniline, (III), C7H8N2O2, there are four molecules in the asymmetric unit. Molecules of two of these types are linked by N—H⃛O hydrogen bonds into molecular ladders containing R43(18) rings and the other two types independently form single C(7) chains. 相似文献
8.
Sunnie Myung Maren Pink Mu‐Hyun Baik David E. Clemmer 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o506-o508
In the structure of dl ‐proline, C5H9NO2, the molecules are connected via classical intermolecular N—H⋯O hydrogen bonds involving the amine and carboxyl groups [N⋯O = 2.7129 (15) and 2.8392 (16) Å], and form chains along the b‐axis direction and parallel to (01). The chains are linked into sheets via weak non‐classical hydrogen bonds. The conformation of the molecule and its packing are notably different from the monohydrated dl ‐proline form. 相似文献
9.
Christian Näther Jens Riedel Inke Jeß 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(1):111-112
The 4,4′-bipyridine molecules in the title compound, C10H8N2·2H2O, are stacked in the direction of the crystallographic b axis. These stacks are connected via O—H⃛N and O—H⃛O hydrogen bonds to form sheets which lie parallel to (100). Chains of O—H⃛O hydrogen-bonded water molecules are located between the bipyridine stacks. Altogether, four crystallographically independent water molecules and two crystallographically independent bipyridine molecules are involved. 相似文献
10.
Jan Janczak Genivaldo Julio Perpétuo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(12):1431-1433
The crystals of a new melaminium salt, bis(2,4,6-triamino-1,3,5-triazin-1-ium) sulfate dihydrate, 2C3H7N6+·SO42−·2H2O, are built up from monoprotonated melaminium(1+) residues, sulfate(2−) anions and water molecules. The SO42− ion has a slightly distorted tetrahedral geometry. The melaminium residues are interconnected by N—H⋯N hydrogen bonds, forming chains. The chains of melaminium residues develop a three-dimensional network through multiple donor–acceptor hydrogen-bond interactions with sulfate anions and water molecules. 相似文献
11.
Markos M. Papadakis Jorge A. Pavon Roger A. Lalancette Hugh W. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o167-o170
The two δ‐keto carboxylic acids of the title, both C10H14O3, are epimeric at the site of carboxyl attachment. The endo (3α) epimer, (I), has its keto‐acid ring in a boat conformation, with the tilt of the carboxyl group creating conformational chirality. The molecules form hydrogen bonds by centrosymmetric pairing of carboxyl groups across the corners of the chosen cell [O⃛O = 2.671 (2) Å and O—H⃛O = 179 (2)°]. Two close intermolecular C—H⃛O contacts exist for the ketone. The exo (3β) epimer exists in the closed ring–chain tautomeric form as the lactol, 8‐hydroxy‐9‐oxatricyclo[5.3.1.03,8]undecan‐10‐one, (II). The molecules have conformational chirality, and the hydrogen‐bonding scheme involves intermolecular hydroxyl‐to‐carbonyl chains of molecules screw‐related in b [O⃛O = 2.741 (2) Å and O—H⃛O = 177 (2)°]. 相似文献
12.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):873-875
The crystals of a new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazine‐1,3‐diium bis(4‐hydroxybenzenesulfonate) dihydrate, C3H8N62+·2C6H5O4S?·2H2O, are built up from doubly protonated melaminium(2+) residues, dissociated p‐phenolsulfonate anions and water molecules. The doubly protonated melaminium dication lies on a twofold axis. The hydroxyl group of the p‐hydroxybenzenesulfonate residue is roughly coplanar with the phenyl ring [dihedral angle 13 (2)°]. A combination of ionic and donor–acceptor hydrogen‐bond interactions link the melaminium and p‐hydroxybenzenesulfonate residues and the water molecules to form a three‐dimensional network. 相似文献
13.
Urs D. Wermuth Graham Smith Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o353-o357
The structures of two brucinium (2,3‐dimethoxy‐10‐oxostrychnidinium) salts of the α‐hydroxy acids l ‐malic acid and l ‐tartaric acid, namely brucinium hydrogen (S)‐malate pentahydrate, C23H27N2O4+·C4H5O5−·5H2O, (I), and anhydrous brucinium hydrogen (2R,3R)‐tartrate, C23H27N2O4+·C4H5O6−,(II), have been determined at 130 K. Compound (I) has two brucinium cations, two hydrogen malate anions and ten water molecules of solvation in the asymmetric unit, and forms an extensively hydrogen‐bonded three‐dimensional framework structure. In compound (II), the brucinium cations form the common undulating brucine sheet substructures, which accommodate parallel chains of head‐to‐tail hydrogen‐bonded tartrate anion species in the interstitial cavities. 相似文献
14.
Kamlakar Avasthi Deepa Bhagat Chandralata Bal Ashoke Sharon Umesh Yadav Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o409-o412
The crystal structure of 4,6‐bis(methylsulfanyl)‐1‐phthalimidopropyl‐1H‐pyrazolo[3,4‐d]pyrimidine, C18H17N5O2S2, (VI), reveals an unusual folded conformation due to an apparent intramolecular C—H⃛π interaction between the 6‐methylsulfanyl and phenyl groups. However, the closely related compound 6‐methylsulfanyl‐1‐phthalimidopropyl‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C21H22N6O2S, (VII), exhibits a fully extended structure, devoid of any intramolecular C—H⃛π or π–π interactions. The crystal packing of both molecules involves intermolecular stacking interactions due to aromatic π–π interactions. In addition, (VI) exhibits intermolecular C—H⃛O hydrogen bonding and (VII) exhibits dimerization of the molecules through intermolecular C—H⃛N hydrogen bonding. 相似文献
15.
John Nicolson Low Antonio Marchal Manuel Nogueras Manuel Melguizo Adolfo Sánchez 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):178-179
The title compound, C15H21N5O2, lies on a crystallographic mirror plane and is hydrogen bonded to neighbouring molecules by infinite chains formed by combinations of strong N—H⃛N and soft C—H⃛O hydrogen bonds. The pyrimidine moiety shows extensive delocalization. 相似文献
16.
Yalc˛ın Elerman Hülya Kara Keith Prout Andrew Johnston 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(10):1222-1224
The title compound, C9H19N3O·C4H7NO2, displays strong intramolecular O—H⃛N [O⃛N 2.6743 (13) Å] and N—H⃛N [N⃛N 2.6791 (15) Å] hydrogen bonds, and strong intermolecular O—H⃛N [O⃛N 2.7949 (15) Å] and N—H⃛O [N⃛O 3.0924 (16) Å] hydrogen bonds. This creates chains of perhydropyrimidine molecules, linked by hydrogen bonds. Each chain is linked to a partner chain, through hydrogen bonds to two butane-2,3-dione monooxime molecules, in a structure reminiscent of a ladder. 相似文献
17.
Antonio Quesada Manuel Melguizo John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o400-o402
The title compound, C18H17N3O2, crystallizes with Z′ = 2 in space group P21/c, and the two independent molecules are approximate, but not exact, mirror images. The molecular–electronic structure is strongly polarized, and the molecules are linked by paired N—H⃛O hydrogen bonds [H⃛O = 2.00–2.23 Å, N⃛O = 2.798 (3)–2.992 (3) Å and N—H⃛O = 145–151°] into two independent C(4)C(6)[(6)] chains of rings, which are linked into sheets by a single aromatic π–π‐stacking interaction. 相似文献
18.
Krishnan Ravikumar Balasubramanian Sridhar 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o212-o214
In the title compound, 2C5H6N5+·C8H4O42−·C8H6O4·1.45H2O, the asymmetric unit comprises two adeninium cations, two half phthalate anions with crystallographic C2 symmetry, one neutral phthalic acid molecule, and one fully occupied and one partially occupied site (0.45) for water molecules. The adeninium cations form N—H⋯O hydrogen bonds with the phthalate anions. The cations also form infinite one‐dimensional polymeric ribbons via N—H⋯N interactions. In the crystal packing, hydrogen‐bonded columns of cations, anions and phthalate anions extend parallel to the c axis. The water molecules crosslink adjacent columns into hydrogen‐bonded layers. 相似文献
19.
James Chapman Nigel L. Pickett Gabriel Kolawole Majid Motevalli Paul O'Brien 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e501-e502
The title copper complex, [Cu(dl ‐DAP)2(H2O)2]·2H2O or [Cu(C3H7N2O2)2(H2O)2]·2H2O, prepared from the non‐protein amino acid dl ‐2,3‐diaminopropionic acid (dl ‐HDAP), has a center of symmetry and a distorted octahedral coordination, with four N atoms in equatorial positions and two water molecules in apical sites. The water molecule of crystallization is hydrogen bonded to the deprotonated carboxylate group of the ligand. 相似文献
20.
Raffaella Soave Riccardo Destro 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o507-o509
The asymmetric unit of the title compound, C22H31N3O4·H2O, incorporates one water molecule, which is hydrogen bonded to the 3‐oxo O atom of the indolizidinone system. The two rings of the peptidomimetic molecule are trans‐fused, with the six‐membered ring having a slightly distorted half‐chair conformation and the five‐membered ring having a perfect envelope conformation. The structure is stabilized by intermolecular O—H?O interactions between the water and adjacent peptide molecules, and by N—H?O interactions between the peptide molecules, which link the molecules into infinite chains. 相似文献