共查询到20条相似文献,搜索用时 15 毫秒
1.
Zhi‐Min Jin Bin Tu Lin He Mao‐Lin Hu Jian‐Wei Zou 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m197-m199
The title compound, (C6H9N2)[ZnCl3(C6H8N2)], consists of one 2‐amino‐5‐methylpyridinium cation and one (2‐amino‐5‐methylpyridine)trichlorozincate(II) anion, which are held together by N—H·Cl hydrogen bonds and π–π interactions. The cation and the pyridine ligand show similar geometric features, except for the N—C bond lengths. Molecules of the title compound are connected by N—H·Cl hydrogen bonds to form chiral chains; these chains are associated further by C—H·Cl hydrogen bonds to form layers, which are in turn linked by π–π interactions. 相似文献
2.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m218-m220
The asymmetric unit of the title compound, {[Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, consists of one pyridine‐4‐carboxamide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water molecule. Both the CuII and the squarate ions are located on inversion centers. The CuII ions are octahedrally surrounded by four O atoms of two water molecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged CuII ions. These chains are held together by N—H⋯O and O—H⋯O intermolecular hydrogen‐bond interactions, forming an extensive three‐dimensional network. 相似文献
3.
Udo Beckmann Sally Brooker 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o653-o655
The structure of the cocrystallized 1:1 adduct of (S,S)‐4‐amino‐3,5‐bis(1‐hydroxyethyl)‐1,2,4‐triazole and (S,S)‐1,2‐bis(2‐hydroxypropionyl)hydrazine, C6H12N4O2·C6H12N2O4, has tetragonal symmetry. All eight O‐ and N‐bound H atoms are involved in intermolecular hydrogen bonds, resulting in infinite zigzag chains of the triazole molecules, with the hydrazine molecules filling the gaps between the chains and completing a three‐dimensional hydrogen‐bonded array. 相似文献
4.
Dmitrii S. Yufit Judith A. K. Howard 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o141-o143
The crystal structures of (1R,1′S)‐2′,2′‐dichloro‐N‐(1‐phenylethyl)cyclopropane‐1′‐carboxamide, C12H13Cl2NO, (I), and (1R,1′R)‐2′,2′‐difluoro‐N‐(1‐phenylethyl)cyclopropane‐1′‐carboxamide, C12H13F2NO, (II), have been determined. Both crystals contain two independent molecules with different conformations of the phenylethyl groups. In the crystals of both compounds, the molecules are linked together by N—H⃛O hydrogen bonds, thus forming chains in the a direction. 相似文献
5.
Abdurrahman engül Nevzat Karaday 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o539-o541
The title compound, C27H27N5O3·H2O, is built up from pyrazolinone, phenyl and acetophenone oxime moieties. The 2‐phenyl substituent is nearly perpendicular to the pyrazolinone ring, with a dihedral angle of 87.66 (1)°. The acetophenone oxime moieties are twisted out of the pyrazolinone‐ring plane by 47.04 (1)°. The molecules in the crystal pack in an antiparallel fashion and are held together by hydrogen‐bonded water molecules and intermolecular O—H⋯O and O—H⋯N hydrogen bonds. 相似文献
6.
Petar Todorov Emilia Naydenova Rosica Petrova Boris Shivachev Kolio Troev 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o661-o662
The title compound, C6H12NO5P, was synthesized as an intermediate phase in a search for new N‐(phosphonomethyl)glycine derivatives. The molecules are held together by O—H⋯O hydrogen bonds, forming chains along the b axis in the crystal structure. The observed molecular structure is compared with that calculated by the density functional theory method. 相似文献
7.
Nada Kouti‐Hulita Aleksandar Danilovski Miroslav Maleevi Marina Orei Miljenko Dumi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1144-1145
The 2,8‐dihydroxy‐1,3,7,9‐tetramethyl‐6,12‐dihydrodipyrido[1,2‐a:1′,2′‐d]pyrazinediylium dication possesses 2/m symmetry and lies in the mirror plane together with a chloride anion and the water O atom. The dication also lies on an inversion centre, i.e. C16H20N2O22+·2Cl?·2H2O. Due to these symmetry constrictions the dication adopts an unexpected planar conformation. Molecules are linked by O—H?O and O—H?Cl hydrogen bonds to form chains, which are cross‐connected by C—H?Cl attractive interactions forming a complex three‐dimensional hydrogen‐bond network. 相似文献
8.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o575-o579
Four derivatives of 2,6‐bis(hydroxymethyl)phenol, with various para substituents, have been investigated; these are 2,6‐bis(hydroxymethyl)‐4‐methylphenol, C9H12O3, (I), 2,6‐bis(hydroxymethyl)‐4‐methoxyphenol, C9H12O4, (II), 2,6‐bis(hydroxymethyl)‐4‐phenoxyphenol, C14H14O4, (III), and 2,6‐bis(hydroxymethyl)‐4‐[1‐(4‐methoxyphenyl)‐1‐methylethyl]phenol, C18H22O4, (IV). All four structures display hydrogen‐bonding networks resulting in sheets, with possible weak inter‐sheet π–π interactions in one case. In all the structures but one, the molecules form centrosymmetric dimeric subunits held together by two hydrogen bonds between the hydroxymethyl groups and, in two cases, by probable π–π interactions. 相似文献
9.
Miroslav Zabadal Dominik Heger Marek Ne
as Petr Kln 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o77-o79
The structures of the bichromophoric compounds N‐(1‐naphthylacetyl)glycine phenacyl ester, C22H19NO4, (I), and its oxygen analogue, phenacyl (1‐naphthylacetoxy)acetate, C22H18O5, (II), have been determined. The molecules of (I) are held together by intermolecular N—H⋯O hydrogen bonds between the carbonyl and N—H groups, while compound (II) does not show any hydrogen bonding in the crystal. 相似文献
10.
Kenny Stahl Jette Oddershede Herbert Preikschat Erik Fischer Jacob S. Bennekou 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):m112-m115
The crystal structures of the title compounds, ammonium risedronate dihydrate, NH4+·C7H10NO7P2−·2H2O, (I), and potassium risedronate dihydrate, K+·C7H10NO7P2−·2H2O, (II), have been determined from single‐crystal X‐ray data collected at 120 K. Compound (I) forms a three‐dimensional hydrogen‐bonded network which connects the ammonium and risedronate ions and the water molecules. In compound (II), the K+ ions are seven‐coordinated in a capped distorted trigonal prism. The coordination polyhedra form chains by corner‐sharing, and these chains are connected by phosphonate groups into layers in the ac plane. The layers are stacked and connected by hydrogen bonds in the b direction. The risedronate conformation is determined by intramolecular interactions fine‐tuned by crystal packing effects. All H‐atom donors in both structures are involved in hydrogen bonding, with D⋯A distances between 2.510 (2) and 3.009 (2) Å. 相似文献
11.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
12.
Nina Lah Ivan Leban Alenka Majcen‐Le Marchal Philippe Le Grel Albert Robert Joachim Sieler Gerald Giester 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1164-1167
The crystal structures of the first stable α‐diol from the α‐halogenopyruvamide series, 3‐chloro‐2,2‐dihydroxy‐3‐phenylpropanamide, C9H10ClNO3, and three products [3‐(4‐chlorophenyl)‐2‐cyano‐2,3‐epoxypropanamide, C10H7ClN2O2, 3‐bromo‐2‐cyano‐2‐hydroxy‐3‐p‐tolylpropanamide, C11H11BrN2O2, 3‐bromo‐2‐oxo‐3‐p‐tolylpropanamide, C10H10BrNO2] obtained during the systematic synthesis of α‐halogenopyruvamides are reported. The crystal structures are dominated by hydrogen bonds involving an amide group. The stability of the geminal diol could be ascribed to hydrogen bonds which involve both hydroxyl groups. 相似文献
13.
Makoto Eishima Shigeru Ohba Masumi Suzuki Chiaki Nagasawa Takeshi Sugai 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1391-1393
In the racemic crystals of (1S,2R)‐ or (1R,2S)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (I), the enantiomeric molecules form a dimeric structure via the N—H?O cyclic hydrogen bond of the carbamoyl moieties. In the chiral crystals of (—)‐(1S,2R)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (II), the N—H?O intermolecular hydrogen bond forms a zigzag chain around the twofold screw axis. The melting points and calculated densities of (I) and (II) are 446 and 396 K, and 1.481 and 1.445 Mg m?3, respectively. 相似文献
14.
Vratislav Langer Dalma Gyepesov Jozef Lusto Juraj Kronek Eva Scholtzov Miroslav Ko 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o416-o418
In the crystal structure of the title compound, C11H13NO2, there are strong intermolecular O—H⋯N hydrogen bonds which, together with weak intramolecular C—H⋯O hydrogen bonds, lead to the formation of infinite chains of molecules, held together by weak intermolecular C—H⋯O hydrogen bonds. A theoretical investigation of the hydrogen bonding, based on density functional theory (DFT) employing periodic boundary conditions, is in agreement with the experimental data. The cluster approach shows that the influence of the crystal field and of hydrogen‐bond formation are responsible for the deformation of the 2‐oxazoline ring, which is not planar and adopts a 4T3 (C3TC2) conformation. 相似文献
15.
Chenguang Li Paul D. Robinson Daniel J. Dyer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o336-o338
Cocrystallization of 1,1′‐(p‐phenylene)dipyridin‐4(1H)‐one (4,4′‐dpy) and terephthalic acid (tpa) affords the hydrogen‐bonded 1:1 title complex, C16H12N2O2·C8H6O4. Both molecules are symmetrically disposed about independent symmetry centers. Strong O—H⋯O hydrogen bonds between tpa carboxyl groups and 4,4′‐dpy carbonyl groups produce one‐dimensional zigzag infinite chains. Each chain is linked to four surrounding chains via weak C—H⋯O interactions, resulting in a three‐dimensional molecular framework. 相似文献
16.
Lionel E. Cheruzel Mark S. Mashuta Robert M. Buchanan 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o361-o362
Crystallization of the title compound, C8H8N4O2, results in the formation of one‐dimensional chains of imidazole (im) molecules linked together by strong hydrogen bonds. The O⋯N(im) separation and O—H(⋯N) distance are 2.6906 (17) and 1.74 (2) Å, respectively, and the O—H⋯N angle is 173 (2)°. The one‐dimensional chains are weakly π stacked along the b axis, with centroid‐to‐centroid separations of 3.678 (2) Å between five‐ and six‐membered rings and 3.963 (2) Å between six‐membered rings. Each molecule is arranged around an inversion center. 相似文献
17.
Susan A. McWilliam Janet M. S. Skakle John N. Low James L. Wardell Simon J. Garden Angelo C. Pinto Jose C. Torres Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):942-945
In the triclinic polymorph of 2‐iodo‐4‐nitroaniline, C6H5IN2O2, space group P, the molecules are linked by paired N—H?O hydrogen bonds into C(8)[R(6)] chains of rings. These chains are linked into sheets by nitro?I interactions, and the sheets are pairwise linked by aromatic π–π‐stacking interactions. In the orthorhombic polymorph, space group Pbca, the molecules are linked by single N—H?O hydrogen bonds into spiral C(8) chains; the chains are linked by nitro?O interactions into sheets, each of which is linked to its two immediate neighbours by aromatic π–π‐stacking interactions, so producing a continuous three‐dimensional structure. 相似文献
18.
Goverdhan Mehta Saikat Sen Siddharth Dey 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o358-o360
In the title compound, C6H12O4·H2O, 1,4/2,5‐cyclohexanetetrol and water molecules are seen to possess twofold symmetry. All four hydroxyl groups of the tetrol participate in extensive intermolecular O—H⋯O hydrogen bonding to form molecular tapes propagating along the a axis. Translationally related tapes along the c axis are held together by four coordinated water molecules. 相似文献
19.
Peter Sawatzki Thomas Mikeska Martin Nieger Michael Bolte Thomas Kolter 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o225-o227
The title compound, C18H35NO4, is a new bioactive amphiphilic lipid with a cis‐substituted 1,3‐oxazolidin‐2‐one head group. In the crystal structure, the molecules form intercalating bilayers in which the oxazolidinone head groups are joined together by hydrogen bonds into chains. 相似文献
20.
Bernardo Masci Stefano Levi Mortera Maurizio Varrone Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o649-o651
Two compounds containing 1,3‐benzodioxin groups are reported, namely (±)‐6‐tert‐butyl‐8‐hydroxymethyl‐2‐phenyl‐4H‐1,3‐benzodioxin, C19H22O3, (I), and 2,2,2′,2′,6,6′‐hexamethyl‐8,8′‐methylenebis(4H‐1,3‐benzodioxin), C23H28O4, (II).The hydroxy groups of neighbouring molecules in (I) are hydrogen bonded to each other, giving rise to double‐row chains. The molecule in (II) adopts a `butterfly' conformation, with the O atoms in distal positions. In both compounds, the dioxin rings are in distorted half‐chair conformations. 相似文献