共查询到20条相似文献,搜索用时 15 毫秒
1.
Christopher Glidewell Debbie Cannon Antonio Quesada John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):455-458
Molecules of 1,3‐diamino‐4‐nitrobenzene, C6H7N3O2, are linked by N—H?O hydrogen bonds [N?O 2.964 (2) and 3.021 (2) Å; N—H?O 155 and 149°] into (4,4) nets. In 3,5‐dinitroaniline, C6H5N3O4, where Z′ = 2, the molecules are linked by three N—H?O hydrogen bonds [N?O 3.344 (2)–3.433 (2) Å and N—H?O 150–167°] into deeply puckered nets, each of which is interwoven with its two immediate neighbours. 相似文献
2.
Bartosz Zarychta Zdzisaw Daszkiewicz Janusz B. Kyzio Jacek Zaleski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o564-o566
Two isomeric products (C8H10N2O4S) of the rearrangement of 3‐methanesulfonyl‐N‐methyl‐N‐nitroaniline have been investigated, viz. 3‐methanesulfonyl‐N‐methyl‐2‐nitroaniline, which was the main product of the rearrangement, and 5‐methanesulfonyl‐N‐methyl‐2‐nitroaniline. In both molecules, the aromatic rings are appreciably deformed towards ortho‐quinonoidal geometry by electronic and steric interactions. The crystal structure is stabilized, in both cases, by weak C—H⋯O hydrogen bonds. 相似文献
3.
Christopher Glidewell John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o100-o102
Molecules of the title compound (systematic name: 2‐amino‐3‐bromo‐5‐nitrobenzonitrile), C7H4BrN3O2, are linked by N—H?N and N—H?O hydrogen bonds [H?N 2.19 Å, N?N 3.019 (4) Å and N—H?N 157°, and H?O 2.17 Å, N?O 2.854 (3) Å and N—H?O 134°] to form (10) sheets built from alternating R(12) and R(36) rings, both of which are centrosymmetric. 相似文献
4.
Christopher Glidewell John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o97-o99
In 2‐trifluoromethyl‐4‐nitroaniline, C7H5F3N2O2, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N—H?O hydrogen bonds to form a C(8)[R(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C—H?O hydrogen bond. The isomeric 3‐trifluoromethyl‐4‐nitroaniline, (II), has Z′ = 2 in space group P21/c. Each molecule is linked to four others by N—H?O hydrogen bonds to form sheets built from alternating R(12) and R(32) rings. 相似文献
5.
M. Barboiu A. van der Lee 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m366-m368
The structure of the supramolecular complex calcium–trifluoromethanesulfonate–1,3‐di‐4‐pyridylurea–methanol (1/2/2/4), Ca2+·2CF3SO3−·2C11H10N4O·4CH4O, is presented. The Ca2+ ion lies on an inversion centre and is octahedrally coordinated by four methanol molecules and two trifluoromethanesulfonate counter‐ions. The molecular packing is dominated by hydrogen‐bonded sheets in the (110) plane which contain R(32) rings; in these rings, significant π–π interactions are observed between inversion‐related 1,3‐di‐4‐pyridylurea molecules. 相似文献
6.
Simon J. Garden Cíntia de A. Custdio James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o408-o410
The molecules of 2‐cyano‐4‐iodoacetanilide, C9H7IN2O, are linked by N—H...N and C—H...O hydrogen bonds into chains of alternating R22(12) and R22(14) rings. 相似文献
7.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1287-1288
The title compound, C15H12O, crystallizes in the centrosymmetric space group I41/a with one molecule in the asymmetric unit. In the single hydrogen bond, the H atom is ordered, the OD?OA distance is 2.788 (1) Å and the O—H?O angle is 176 (1)°. Each hydroxyl group forms hydrogen bonds with two other hydroxyl groups and the resulting chains of interactions, in four non‐linked subsets of molecules, propagate along [001]. The single leading intermolecular C—H?O interaction has an H?O distance of 2.81 Å and a C—H?O angle of 140°; the single leading intramolecular C—H?O interaction has an H?O distance of 2.24 Å and a C—H?O angle of 152°. The phenanthrene core is less nearly planar in this structure than in the room temperature structure of phenanthrene‐4‐carboxylic acid. 相似文献
8.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):850-852
The title acid, C19H15FO2, crystallized in the centrosymmetric space group P with one molecule as the asymmetric unit. There is a single hydrogen bond, with an OD?OA distance of 2.632 (2) Å and an OD—H?OA angle of 177 (3)°, which forms an R(8) cyclic dimer about a center of symmetry. There is a single leading intermolecular C—H?X interaction, with an H?F distance of 2.49 Å and a C—H?F angle of 147°. Three leading intramolecular C—H?X interactions appear to play a significant role in determining the orientation of the methyl and carboxyl groups. 相似文献
9.
Graham Smith Urs D. Wermuth Peter C. Healy 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o600-o603
The crystal structures of the proton‐transfer compounds of 8‐quinolinol (oxine) with the aromatic sulfonic acids 2‐aminobenzenesulfonic acid (orthanilic acid) and 8‐hydroxy‐7‐iodoquinoline‐5‐sulfonic acid (ferron) have been determined. In both 8‐hydroxyquinolinium 2‐aminobenzenesulfonate, C9H8NO+·C6H6NO3S−, (I), and 8‐hydroxyquinolinium 8‐hydroxy‐7‐iodoquinoline‐5‐sulfonate sesquihydrate, C9H8NO+·C9H6INO4S−·1.5H2O, (II), extensive hydrogen‐bonding interactions, together with significant cation–cation [in (I)] and cation–anion [in (II)] π–π stacking associations, give rise to layered polymer structures. 相似文献
10.
Allison J. Dobson Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1021-1023
The title compound, C16H10N2O6·2H2O, crystallized in the centrosymmetric triclinic space group P with one organic molecule and two water molecules as the asymmetric unit. Eight intermolecular hydrogen bonds have donor?acceptor distances in the range 2.602 (2)–3.289 (2) Å, with angles in the range 137 (2)–177 (2)°. These generate a three‐dimensional hydrogen‐bond network. There is a single intramolecular hydrogen bond. There are six significant intermolecular C—H?O interactions with H?O distances in the range 2.39–2.74 Å, and C—H?O angles in the range 131–157°. 相似文献
11.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1222-1224
The title acid, C19H16O2, crystallized in the centrosymmetric space group Pnna with three molecules in the asymmetric unit (apparently the first reported instance of Z′ = 3 in this space group). Four intermolecular hydrogen bonds have OD?OA distances of 2.660 (2), 2.594 (2), 2.633 (2) and 2.646 (2) Å, and angles of 177 (2), 179 (2), 175 (2) and 175 (2)°. The four hydrogen bonds form two R(8) cyclic dimers, one about a twofold axis. Five leading intermolecular C—H?O interactions are present. Although first‐ and second‐level graph sets involving these nine interactions are dominated by finite patterns, a three‐dimensional network becomes evident upon analysis of higher‐level graphs. A number of intramolecular C—H?O interactions are also present. 相似文献
12.
David J. Brauer Konstantin W. Kottsieper 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o244-o246
The title compound, C2H7N4O+·CH4O3P−·H2O, crystallized with one carbamoylguanidinium cation, one methylphosphonate anion and one water molecule in the asymmetric unit. All H atoms of the carbamoylguanidinium ion are involved in a hydrogen‐bonded network. The CH3PO2(OH) anions, together with the water molecules, build O—H⋯O hydrogen‐bonded ribbons around a 21 screw axis parallel to the b axis. Neighbouring ribbons are not directly connected via hydrogen bonding. The carbamoylguanidinium cations are linked to these ribbons by N—H⋯O bridges and build a slightly buckled layer structure, the interlayer distance being b/2. 相似文献
13.
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
14.
Christopher Glidewell John N. Low James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1462-1464
In the title compound, 2‐(2‐nitrophenylthio)‐1,2‐benzothiazol‐3(2H)‐one 1,1‐dioxide, 2‐O2NC6H4S(C7H4NO3S) or C13H8N2O5S2, the planes of the saccharin and nitrophenylthiolate portions are almost orthogonal. The molecules are linked by C—H?O=S hydrogen bonds [C?O 3.308 (3) Å, H?O 2.44 Å and C—H?O 155°] into cyclic centrosymmetric R22(16) dimers, reinforced by aromatic π?π stacking interactions between the nitrated aryl rings. 相似文献
15.
Solange M. S. V. Wardell James L. Wardell Mark F. Ward John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):865-867
Crystals of the title compound, C18H20N4O4, contain equal numbers of (R,R) and (S,S) molecules, but these are not precise enantiomorphs, neither are they related by crystallographic symmetry; in addition, each molecule exhibits approximate, but not exact, twofold rotational symmetry. There are intramolecular N—H?O hydrogen bonds [N?O 2.609 (4)–2.638 (5) Å; N—H?O 125–132°] and the molecules are linked into molecular ladders by C—H?O hydrogen bonds [C?O 3.306 (6)–3.386 (6) Å; C—H?O 146–160°]. 相似文献
16.
Leroy Cronin Dave A. Adams David J. Nightingale James H. Clark 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):244-245
The structure of the title compound, C14H7ClN4O5, comprises two nearly coplanar phenyl rings connected via an amido moiety. 相似文献
17.
Cem Cüneyt Ersanl igdem Albayrak Mustafa Odabaoglu Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o601-o602
The title compound, C13H10N2O4, adopts the keto–amine tautomeric form and displays an intramolecular N—H⋯O [N⋯O = 2.579 (2) Å] and three intermolecular O—H⋯O [O⋯O = 2.561 (2) Å] and C—H⋯O [C⋯O = 3.274 (2) and 3.318 (2) Å] hydrogen bonds. The keto–amine structure is favoured by through‐molecule conjugation between the hydroxy O atom and imine N atom. The dihedral angle between the planes of the two aromatic rings is 10.79 (4)°. 相似文献
18.
Ming‐Lin Guo 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o690-o692
The title adduct, C5H14N22+·C8H3NO62−·C8H5NO6·H2O, crystallizes in the monoclinic space group P21. All O atoms of the 4‐nitrophthalate anions and neutral 4‐nitrophthalic acid molecules are involved in hydrogen bonding with the piperazine dication and the water molecule of crystallization. 相似文献
19.
Debbie Cannon John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):600-603
Molecules of the title compound, C7H6N2O5S, are linked into sheets containing R22(10) and R66(42) rings by C—H?O hydrogen bonds [C?O 3.405 (3) and 3.511 (2) Å; C—H?O 159 and 169°], in which both acceptors are in the same nitro group. Comparisons are made with the hydrogen bonding in other nitrobenzenesulfenate esters. 相似文献
20.
John N. Low Justo Cobo Rodrigo Abonia Jairo Quiroga Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o194-o195
Molecules of the title compound, C13H16N4O2, are linked by one N—H⋯O hydrogen bond [H⋯O = 2.47 Å, N⋯O = 3.326 (2) Å and N—H⋯O = 166°] and one N—H⋯N hydrogen bond [H⋯N = 2.19 Å, N⋯N = 3.063 (2) Å and N—H⋯N = 173°] into sheets containing alternating (20) and (32) rings, both types of which are centrosymmetric. 相似文献