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1.
Carlos E. M. Carvalho Solange M. S. V. Wardell James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o28-o32
Molecules of the title compounds N2‐(benzoyloxy)benzamidine, C14H12N2O2, (I), N2‐(2‐hydroxybenzoyloxy)benzamidine, C14H12N2O3, (II), and N2‐benzoyloxy‐2‐hydroxybenzamidine, C14H12N2O3, (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N—H⋯N hydrogen bond [H⋯N = 2.15 Å, N⋯N = 3.029 (2) Å and N—H⋯N = 153°] and these chains are linked into sheets by means of aromatic π–π stacking interactions. There is one intramolecular O—H⋯O hydrogen bond in (II), and a combination of one three‐centre N—H⋯(N,O) hydrogen bond [H⋯N = 2.46 Å, H⋯O = 2.31 Å, N⋯N = 3.190 (2) Å, N⋯O = 3.146 (2) Å, N—H⋯N = 138° and N—H⋯O = 154°] and one two‐centre C—H⋯O hydrogen bond [H⋯O = 2.46 Å, C⋯O = 3.405 (2) Å and C—H⋯O = 173°] links the molecules into sheets. In (III), an intramolecular O—H⋯N hydrogen bond and two N—H⋯O hydrogen bonds [H⋯O = 2.26 and 2.10 Å, N⋯O = 2.975 (2) and 2.954 (2) Å, and N—H⋯O = 138 and 163°] link the molecules into sheets. 相似文献
2.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o120-o124
Molecules of 2‐(2‐nitrophenylaminocarbonyl)benzoic acid, C14H10N2O5, are linked into centrosymmetric R(8) dimers by a single O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.623 (2) Å and O—H⋯O = 178°] and these dimers are linked into sheets by a single aromatic π–π stacking interaction. The isomeric compound 2‐(4‐nitrophenylaminocarbonyl)benzoic acid crystallizes in two polymorphic forms. In the orthorhombic form (space group P212121 with Z′ = 1, crystallized from ethanol), the molecules are linked into sheets of R(22) rings by a combination of one N—H⋯O hydrogen bond [H⋯O = 1.96 Å, N⋯O = 2.833 (3) Å and N—H⋯O = 171°] and one O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.614 (3) Å and O—H⋯O = 173°]. In the monoclinic form (space group P21/n with Z′ = 2, crystallized from acetone), the molecules are linked by a combination of two N—H⋯O hydrogen bonds [H⋯O = 2.09 and 2.16 Å, N⋯O = 2.873 (4) and 2.902 (3) Å, and N—H⋯O = 147 and 141°] and two O—H⋯O hydrogen bonds [H⋯O = 1.84 and 1.83 Å, O⋯O = 2.664 (3) and 2.666 (3) Å, and O—H⋯O = 166 and 174°] into sheets of some complexity. These sheets are linked into a three‐dimensional framework by a single C—H⋯O hydrogen bond [H⋯O = 2.45 Å, C⋯O = 3.355 (4) Å and C—H⋯O = 160°]. 相似文献
3.
Bikshandarkoil R. Srinivasan Ashish R. Naik Christian Nther Wolfgang Bensch 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m81-m84
The structure of the title compound, (C2H10N2)[WOS3], consists of ethylenediammonium dications and tetrahedral [WOS3]2− dianions, which are linked with the aid of four varieties of hydrogen bond, namely N—H⋯O, N—H⋯S, C—H⋯O and C—H⋯S. The strength and number of these hydrogen bonds affect the W—O and W—S bond distances. 相似文献
4.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o15-o18
2‐Amino‐5‐nitrothiazole crystallizes from solution in ethanol as a monosolvate, C3H3N3O2S·C2H6O, in which the thiazole component has a strongly polarized molecular–electronic structure. The thiazole molecules are linked into centrosymmetric dimers by paired N—H⋯N hydrogen bonds [H⋯N = 2.09 Å, N⋯N = 2.960 (6) Å and N—H⋯N = 169°], and these dimers are linked by the ethanol molecules, via a two‐centred N—H⋯O hydrogen bond [H⋯O = 1.98 Å, N⋯O = 2.838 (5) Å and N—H⋯O = 164°] and a planar asymmetric three‐centred O—H⋯(O)2 hydrogen bond [H⋯O = 2.07 and 2.53 Å, O⋯O = 2.900 (5) and 3.188 (5) Å, O—H⋯O = 169 and 136°, and O⋯H⋯O = 55°], into sheets built from alternating (8) and (38) rings. These sheets are triply interwoven. 相似文献
5.
Henrik Birkedal Philip Pattison 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):o139-o141
The crystal structure of the title Schiff base {systematic name: 2,2′‐[methylenedi‐p‐phenylenebis(nitrilomethylidyne)]diphenol}, C27H22N2O2, consists of intramolecularly hydrogen‐bonded molecules interlinked by C—H⋯O hydrogen bonds [C⋯O = 3.426 (2) Å and C—H⋯O = 152.7 (17)°]. The molecule is in the enol form and is located on a twofold axis. The central methane C atom of the diphenylmethane motif is displaced from the aromatic ring planes. This effect is compared with previous results, which display an inverse correlation between the out‐of‐plane displacement and the C—C—C angle around the central methane C atom. In the title compound, the displacement is 0.124 (2) Å and the C—C—C angle is 110.18 (19)°. 相似文献
6.
Jaromír Marek Dagmar Hulov Jií Dostl Radek Marek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o583-o585
The title compound [systematic name: 9,10‐dimethoxy‐2,3‐methylenedioxy‐5,6‐dihydrodibenzo[a,g]quinolizinium formate–succinic acid (1/1)], C20H18NO4+·CHO2−·C4H6O4, contains centrosymmetric pairs of almost planar berberine cations, and hydrogen‐bonded (C4H6O4⋯HCOO−)2 rings of succinic acid with formate anions, bonded by O—H⋯O hydrogen bonds with O⋯O distances of 2.4886 (15) and 2.5652 (16) Å. Pairs of cations and molecules of succinic acid are connected by non‐conventional weak C—H⋯O hydrogen bonds, with C⋯O distances of 3.082 (2) and 3.178 (2) Å. 相似文献
7.
Khalid A. Al‐Farhan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o531-o532
In the title compound, C18H15OP·C11H8O2, co‐crystallization of triphenylphosphine oxide with 1‐naphthoic acid yields a supramolecular structure held together by one O—H⋯O and three C—H⋯O hydrogen bonds. The O—H⋯O hydrogen bond [O⋯O = 2.592 (2) Å] has little effect on the O=P bond distance. 相似文献
8.
Ivana Jarak Grace Karminski‐Zamola Gordana Pavlovi Zora Popovi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o98-o100
The title compound, C10H16N·Cl−·C2H6O, is an important intermediate in the convergent synthesis of amidine‐substituted polycyclic heterocycles, a class of compounds that shows significant anticancer activity. The molecule of (I) is not planar, having a dihedral angle of 25.00 (7)° between the aniline and amidine (–C—NH=C=NH2) groups. The protonation of the amidine molecular fragment is accompanied by delocalized C—N bond distances of 1.320 (2) and 1.317 (2) Å. The cations and chloride anions are involved in a network of hydrogen bonds, resulting in the formation of infinite chains propagating along the b direction. The chains are further grouped within the ab plane, in such a way that the structure is segregated into layers dominated by hydrophobic interactions involving N‐isopropyl residues and layers dominated by N—H⋯Cl [N⋯Cl = 3.275 (2)–3.596 (2) Å], O—H⋯Cl [O⋯Cl = 3.229 (3) Å] and N—H⋯O [N⋯O = 2.965 (3) Å] hydrogen bonds. 相似文献
9.
Marina S. Fonari Eduard V. Ganin Wen‐Jwu Wang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o431-o433
In the centrosymmetric formula unit of the title complex, C8H16O4·2C18H16S, the 1,4,7,10‐tetraoxacyclododecane molecule adopts the biangular [66] conformation, and the triphenylmethanethiol molecules are linked to the macrocycle via a long S—H⋯O hydrogen bond [S⋯O = 3.460 (2) Å and S—H⋯O = 161 (2)°]. Attractive interactions of phenyl groups in edge‐to‐face conformations combine inversion‐related formula units into chains running along the [111] direction in the crystal structure. Association of the chains into sheets is achieved via C—H⋯π interactions. 相似文献
10.
Gnana Sutha Siluvai Babu Varghese Narasimha N. Murthy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o380-o382
In the title salt, 1,3‐bis{[2‐(2‐pyridinio)ethyl][2‐(2‐pyridyl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4−·2H2O, the cation contains two ethylpyridyl and two ethylpyridinium pendant pairs anchored to the two N atoms of 1,3‐phenylenediamine. The pyridyl and pyridinium N atoms are flanked by a molecule of water through strong hydrogen‐bonding interactions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water molecules have weak hydrogen‐bonding interactions with the perchlorate anions as well. One of the perchlorate anions is severely disordered. 相似文献
11.
John F. Gallagher Paula N. Kelly Peter T. M. Kenny Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m552-m554
The title compound, [Fe(C5H5)(C21H16NO)], was synthesized from the coupling reaction of anthracene‐9‐carboxylic acid and ferrocenylmethylamine. The ferrocenyl (Fc) group and the anthracene ring system both lie approximately orthogonal to the amide moiety. An amide–amide interaction (along the a axis) is the principal interaction [N⋯O = 2.910 (2) Å]. A C—H⋯π(arene) interaction [C⋯centroid = 3.573 (2) Å] and a C—H⋯O interaction [C⋯O = 3.275 (3) Å] complete the hydrogen bonding; two short (Fc)C⋯C(anthracene) contacts are also present. 相似文献
12.
Delphine Firley Bernard Fraisse Fatima Zouhiri Anne Spasojevi‐de Bir Didier Desmaële Jean D'Angelo Nour Eddine Ghermani 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o154-o157
Both 7‐carboxylato‐8‐hydroxy‐2‐methylquinolinium monohydrate, C11H9NO3·H2O, (I), and 7‐carboxy‐8‐hydroxy‐2‐methylquinolinium chloride monohydrate, C11H10NO3+·Cl−·H2O, (II), crystallize in the centrosymmetric P space group. Both compounds display an intramolecular O—H⋯O hydrogen bond involving the hydroxy group; this hydrogen bond is stronger in (I) due to its zwitterionic character [O⋯O = 2.4449 (11) Å in (I) and 2.5881 (12) Å in (II)]. In both crystal structures, the HN+ group participates in the stabilization of the structure via intermolecular hydrogen bonds with water molecules [N⋯O = 2.7450 (12) Å in (I) and 2.8025 (14) Å in (II)]. In compound (II), a hydrogen‐bond network connects the Cl− anion to the carboxylic acid group [Cl⋯O = 2.9641 (11) Å] and to two water molecules [Cl⋯O = 3.1485 (10) and 3.2744 (10) Å]. 相似文献
13.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
14.
Nobuyuki Matsushita 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m33-m36
The title compound, {[PtIIPtIVI2(C2H8N2)4](HPO4)(H2PO4)I·3H2O}n, has a chain structure composed of square‐planar [Pt(en)2]2+ and elongated octahedral trans‐[PtI2(en)2]2+ cations (en is ethylenediamine) stacked alternately along the c axis and bridged by the I atoms; a three‐dimensionally valence‐ordered system exists with respect to the Pt sites. The title compound also has a unique cyclic tetramer structure composed of two hydrogenphosphate and two dihydrogenphosphate ions connected by strong hydrogen bonds [O⋯O = 2.522 (10), 2.567 (10) and 2.569 (11) Å]. The Pt and I atoms form a zigzag ⋯I—PtIV—I⋯PtII⋯ chain, with PtIV—I bond distances of 2.6997 (7) and 2.6921 (7) Å, interatomic PtII⋯I distances of 3.3239 (8) and 3.2902 (7) Å, and PtIV—I⋯PtII angles of 154.52 (3) and 163.64 (3)°. The structural parameters indicating the mixed‐valence state of platinum, expressed by δ = (PtIV—I)/(PtII—I), are 0.812 and 0.818 for the two independent I atoms. 相似文献
15.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o636-o637
Molecules of the title compound, C13H8I2N2O3, are linked into C(4) chains by a single N—H⋯O=C hydrogen bond [H⋯O = 2.10 Å, N⋯O = 2.832 (5) Å and N—H⋯O = 140°]. Two independent two‐centre iodo–nitro interactions, both involving the same O atom but different I atoms [I⋯O = 3.205 (3) and 3.400 (3) Å, and C—I⋯O = 160.4 (2) and 155.7 (2)°], link the hydrogen‐bonded chains into bilayers. 相似文献
16.
In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐nicotinato‐κ2N:O], [Ag(C6H4NO2)(C10H9N3)]n, the AgI atom is tetracoordinated by two N atoms from the di‐2‐pyridylamine (BPA) ligand [Ag—N = 2.3785 (18) and 2.3298 (18) Å] and by one N atom and one carboxylate O atom from nicotinate ligands [Ag—N = 2.2827 (15) Å and Ag—O = 2.3636 (14) Å]. Bridging by nicotinate N and O atoms generates a polymeric chain structure, which extends along [100]. The carboxyl O atom not bonded to the Ag atom takes part in an intrachain C—H⋯O hydrogen bond, further stabilizing the chain. Pairs of chains are linked by N—H⋯O hydrogen bonds to generate ribbons. There are no π–π interactions in this complex. In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐2,6‐dihydroxybenzoato‐κ2O1:O2], [Ag(C7H5O4)(C10H9N3)]n, the AgI atom has a distorted tetrahedral coordination, with three strong bonds to two pyridine N atoms from the BPA ligand [Ag—N = 2.286 (5) and 2.320 (5) Å] and to one carboxylate O atom from the 2,6‐dihydroxybenzoate ligand [Ag—O = 2.222 (4) Å]; the fourth, weaker, Ag‐atom coordination is to one of the phenol O atoms [Ag⋯O = 2.703 (4) Å] of an adjacent moiety, and this interaction generates a polymeric chain along [100]. Pairs of chains are linked about inversion centers by N—H⋯O hydrogen bonds to form ribbons, within which there are π–π interactions. The ribbons are linked about inversion centers by pairs of C—H⋯O hydrogen bonds and additional π–π interactions between inversion‐related pairs of 2,6‐dihydroxybenzoate ligands to generate a three‐dimensional network. 相似文献
17.
Takashiro Akitsu Yuiri Takeuchi Yasuaki Einaga 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o801-o802
The title compound, (RS)‐3,5‐dichloro‐2‐{[(1‐phenylethyl)imino]methyl}phenol, C15H13Cl2NO, was synthesized from racemic 1‐phenylethylamine and 3,5‐dichlorosalicylaldehyde. The π‐conjugate system around the imine group is essentially planar in the phenol–imine tautomer. Intramolecular O⋯N hydrogen‐bond and intermolecular C—H⋯π interactions are present in the crystal structure. 相似文献
18.
Jií Ludvík Jií Urban Jan Fbry Ivana Císaov 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o259-o262
The title structures, both C10H10N4O, are substitutional isomers. The N—N bond lengths are longer and the C=N bond lengths are shorter by ca 0.025 Å than the respective average values in the C=N—N=C group of asymmetric triazines; the assessed respective bond orders are 1.3 and 1.7. There are N—H⋯O and N—H⋯N hydrogen bonds in both structures, with 4‐amino‐3‐methyl‐6‐phenyl‐1,2,4‐triazin‐5(4H)‐one containing a rare bifurcated N—H⋯N,N hydrogen bond. The structures differ in their molecular stacking and the hydrogen‐bonding patterns. 相似文献
19.
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
20.
Fang‐Jun Huo Cai‐Xia Yin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o500-o502
In the title compound, (5‐oxo‐3a,6a‐diphenylperhydroimidazo[4,5‐d]imidazol‐2‐ylidene)oxonium hydrogen sulfate, C16H15N4O2+·HSO4−, the asymmetric unit contains a hydrogen sulfate anion and a 3a,6a‐diphenylglycoluril oxonium cation. The hydrogen sulfate anion is joined to the oxonium cation via a strong O—H⋯O hydrogen bond (H⋯O = 1.69 Å). The crystal packing is mainly dominated by interactions involving the hydrogen sulfate anion. The diphenylglycoluril oxonium cations also self‐assemble through N—H⋯O hydrogen bonds, forming molecular chains along the [001] vector. Four intramolecular C—H⋯N hydrogen bonds are observed, having an S(5) motif. 相似文献