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1.
In 2‐hydroxy‐3‐iodo‐5‐nitro­benz­aldehyde, C7H4INO4, the mol­ecules are linked into sheets by a combination of C—H⋯O hydrogen bonds and two‐centre iodo–nitro interactions, and these sheets are linked by aromatic π–π stacking interactions. Molecules of 2,4‐di­iodo‐6‐nitro­anisole, C7H5I2NO3, are disordered, with the nitro group and one of the I substituents each occupying common sets of sites with 0.5 occupancy. The mol­ecules are linked into isolated centrosymmetric dimeric units by a single iodo–nitro interaction.  相似文献   

2.
In the title adduct, 1,3,5,7‐tetra­aza­tri­cyclo[3.3.1.13,7]dec­ane–4‐nitro­benzene‐1,2‐diol–water (1/2/1), C6H12N4·2C6H5NO4·H2O, the hexa­methyl­ene­tetra­mine mol­ecule acts as an acceptor of intermolecular O—H?N hydrogen‐bonding interactions from the water mol­ecule and the hydroxy groups of one of the two symmetry‐independent 4‐nitro­catechol mol­ecules. The structure is built from molecular layers which are stabilized by three intermolecular O—H?O, two intermolecular O—H?N and four intermolecular C—H?O hydrogen bonds. The layers are further interconnected by one additional intermolecular O—H?N and two intermolecular C—H?O hydrogen bonds.  相似文献   

3.
The crystal structures of 1‐(4‐fluoro­phenyl)‐2‐phenyl‐4,5,6,7‐tetra­hydro‐1H‐indole, C20H18FN, and 1‐(4‐fluoro­phenyl)‐6,6‐di­methyl‐2‐phenyl‐4,5,6,7‐tetra­hydro‐1H‐indole, C22H22FN, have been determined in order to study the role of `organic fluorine' in crystal engineering. These mol­ecules pack in the crystal structure via different types of molecular motifs utilizing weak C—H⋯F and C—H⋯π interactions.  相似文献   

4.
The mol­ecules of 2‐benzoyl‐1‐benzofuran, C15H10O2, (I), inter­act through double C—H⋯O hydrogen bonds, forming dimers that are further linked by C—H⋯O, C—H⋯π and π–π inter­actions, resulting in a three‐dimensional supramolecular network. The dihedral angle between the benzo­yl and benzofuran fragments in (I) is 46.15 (3)°. The mol­ecules of bis­(5‐bromo‐1‐benzofuran‐2‐yl) ketone, C17H8Br2O3, (II), exhibit C2 symmetry, with the carbon­yl group (C=O) lying along the twofold rotation axis, and are linked by a combination of C—H⋯O and C—H⋯π inter­actions and Br⋯Br contacts to form sheets. The stability of the mol­ecular packing in 3‐mesit­yl‐3‐methyl­cyclo­but­yl 3‐methyl­naphtho[1,2‐b]furan‐2‐yl ketone, C28H28O2, (III), arises from C—H⋯π and π–π stacking inter­actions. The fused naphthofuran moiety in (III) is essentially planar and makes a dihedral angle of 81.61 (3)° with the mean plane of the trimethyl­benzene ring.  相似文献   

5.
Borohydride reduction of N‐(4‐nitro­benzyl­idene)‐4‐iodo­aniline has yielded the title compound, 1,2‐bis­[4‐(4‐iodo­phenyl­amino­methyl)­phenyl]­diazene 1‐oxide, C26H22I2N4O. The mol­ecules lie across centres of inversion in P21/c, with the azoxy O atom disordered over two sites, each having an occupancy of 0.5. The mol­ecules are linked into sheets by a combination of C—H⃛O and C—H⃛π(arene) hydrogen bonds.  相似文献   

6.
The title compound, C20H16N2O, has two mol­ecules in the asymmetric unit and the crystal structure shows that the central pyridine ring of each mol­ecule has a flat boat conformation. The terminal C atom in one of the mol­ecules is disordered over two positions, with relative occupancies of 0.594 (14) and 0.398 (14). Intermolecular C—H?N and C—H?π interactions and π–π stacking, along with intramolecular C—H?N and C—H?π interactions, help to stabilize the structure.  相似文献   

7.
In 2‐iodo‐N‐(3‐nitro­benzyl)­aniline, C13H11IN2O2, the mol­ecules are linked into a three‐dimensional structure by a combination of C—H?O hydrogen bonds, iodo–nitro interactions and aromatic π–π‐stacking interactions, but N—H?O and C—H?π(arene) hydrogen bonds are absent. In the isomeric 3‐iodo‐N‐(3‐nitro­benzyl)­aniline, a two‐dimensional array is generated by a combination of N—H?O, C—H?O and C—H?π(arene) hydrogen bonds, but iodo–nitro interactions and aromatic π–π‐stacking interactions are both absent.  相似文献   

8.
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   

9.
In the title 1/2/2 adduct, C4H12N22+·2C6H3N2O5?·2H2O, the dication lies on a crystallographic inversion centre and the asymmetric unit also has one anion and one water mol­ecule in general positions. The 2,4‐di­nitro­phenolate anions and the water mol­ecules are linked by two O—H?O and two C—H?O hydrogen bonds to form molecular ribbons, which extend along the b direction. The piperazine dication acts as a donor for bifurcated N—H?O hydrogen bonds with the phenolate O atom and with the O atom of the o‐nitro group. Six symmetry‐related molecular ribbons are linked to a piperazine dication by N—H?O and C—H?O hydrogen bonds.  相似文献   

10.
In the crystal structures of (4‐nitro­phenyl­sulfanyl­methyl)­tri­phenyl­stannane, [Sn(C6H5)3(C7H6NO2S)], (I), and (4‐nitro­phenyl­sulfonyl­methyl)­tri­phenyl­stannane, [Sn(C6H5)3­(C7H6NO4S)], (II), the mol­ecules are linked by paired C—H?O hydrogen bonds into centrosymmetric dimers which combine to form sheets. In (I), two such dimers form to give R(10) and R(24) rings. In (II), similar dimers form, here with R(10) and R(18) rings, but with an additional dimer due to the presence of the sulfone group, giving R(10) rings. In both structures, C—H?π interactions lead to a doubling of the width of the sheets.  相似文献   

11.
The structure of tetrameric tri­phenyl­silanol, C18H16OSi, (I), has been re‐investigated at 120 (2) K. The hydroxyl H atoms were readily located and one of the arene rings is disordered over two closely positioned sets of sites. The mol­ecules are linked into cyclic tetramers, having approximate (S4) symmetry, via O—H?O hydrogen bonds [H?O 1.81–1.85 Å, O?O 2.634 (3)–2.693 (3) Å and O—H?O 156–166°]. At ambient temperature, there are indications of multiple disorder of the phenyl‐ring sites. In bis­(tri­phenyl­silanol) di­methyl sulfoxide solvate, 2C18H16OSi·C2H6OS, (II), the di­methyl sulfoxide component is disordered across a twofold rotation axis in C2/c, and the molecular components are linked by a single O—H?O hydrogen bond [H?O 1.85 Å, O?O 2.732 (2) Å and O—H?O 172°] into three‐mol­ecule aggregates, which are themselves linked into a single three‐dimensional framework by two C—H?π(arene) interactions. In tetrakis­(tri­phenyl­silanol) 1,4‐dioxan solvate, 4C18H16OSi·C4H8O2, (III), the 1,4‐dioxan component lies across an inversion centre in space group P and centrosymmetric five‐mol­ecule aggregates are linked by paired C—H?π(arene) interactions to form molecular ladders.  相似文献   

12.
In 2,6‐di­iodo‐4‐nitro­phenol, C6H3I2NO3, the mol­ecules are linked, by an O—H?O hydrogen bond and two iodo–nitro interactions, into sheets, which are further linked into a three‐dimensional framework by aromatic π–π‐stacking interactions. The mol­ecules of 2,6‐di­iodo‐4‐nitro­phenyl acetate, C8H5I2NO4, lie across a mirror plane in space group Pnma, with the acetyl group on the mirror, and they are linked by a single iodo–nitro interaction to form isolated sheets. The mol­ecules of 2,6‐di­iodo‐4‐nitro­anisole, C7H5I2NO3, are linked into isolated chains by a single two‐centre iodo–nitro interaction.  相似文献   

13.
In the title compound, 4‐(4H‐1,2,4‐triazol‐4‐yl­imino­methyl)­phenol hemi­hydrate, C9H8N4O·0.5H2O or (I)·0.5H2O, mol­ecules of (I) are arranged as layers running along the b axis through intermolecular O—H?N and C—H?O hydrogen bonds. These layers are stabilized by hydrogen‐bonded water mol­ecules to form three‐dimensional networks.  相似文献   

14.
In the title compound, C20H22N6, the mol­ecules are linked into a chain of rings by N—H?N [H?N 2.16 Å, N?N 2.950 (3) Å and N—H?N 149°] and C—H?N [H?N 2.55 Å, C?N 3.481 (3) Å and C—H?N 165°] hydrogen bonds, and these chains are linked into sheets by means of C—­H?π(pyrazole) interactions.  相似文献   

15.
In the title compound, C22H23N5O4, the mol­ecules are linked into chains by a three‐centre N—H?(N,O) hydrogen bond, reinforced by a two‐centre C—H?O hydrogen bond, and the chains are further linked into sheets by a combination of C—H?O and C—H?π(arene) hydrogen bonds.  相似文献   

16.
In the crystal structure of the title salt, C7H7Cl2N2O2+·Cl, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the mol­ecules through multiple N+—H⋯Cl salt bridges. There are two independent mol­ecules in the asymmetric unit, related by a pseudo‐inversion center. The direct inter­molecular coupling is established by C—H⋯O, C—H⋯Cl and C—Cl⋯Cl inter­actions. A rare three‐center (donor bifurcated) C—H⋯(O,O) hydrogen bond is observed between the methyl­ene and nitro groups, with a side‐on intra­molecular component of closed‐ring type and a head‐on inter­molecular component.  相似文献   

17.
In the title compound, (4‐O2NC6H4)2S2 or C12H8N2O4S2, the mol­ecules lie across twofold rotation axes. A single type of C—H?O hydrogen bond, with C?O = 3.394 (3) Å and C—H?O = 158°, links the mol­ecules into continuous two‐dimensional sheets built from a single type of R44(44) ring. These sheets are linked by aromatic π?π stacking interactions to form a continuous three‐dimensional framework.  相似文献   

18.
The structures of the title compounds, C15H13N3O4, (I), and C16H15N3O5 [IUPAC name: ethyl 6‐amino‐5‐cyano‐2‐methyl‐4‐(3‐nitro­phenyl)‐4H‐pyrano‐3‐carboxyl­ate], (II), are very similar, with the heterocyclic rings adopting boat conformations. The pseudo‐axial m‐nitro­phenyl substituents are rotated by 84.0 (1) and 98.7 (1)° in (I) and (II), respectively, with respect to the four coplanar atoms of the boat. The dihedral angles between the phenyl rings and nitro groups are 12.1 (2) and 8.4 (2)° in (I) and (II), respectively. The two compounds have similar patterns of intermolecular N—H?O and N—H?N hydrogen bonding, which link mol­ecules into infinite tapes along b .  相似文献   

19.
N,N′‐Di­thio­bisphthal­imide crystallizes from nitro­benzene solution as a solvate, 2C16H8N2O4S2·C6H5NO2, having space group Pn. The bisphthal­imide mol­ecules are linked by C—H?O hydrogen bonds and by aromatic π–π‐stacking interactions, forming a framework enclosing continuous channels running along the [100] direction and accounting for ca 20% of the unit‐cell volume. The nitro­benzene mol­ecules lie in these channels, ordered in a head‐to‐tail fashion and linked to the bis­phthal­imide framework by C—H?O and C—H?π(arene) hydrogen bonds.  相似文献   

20.
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   

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