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ABSTRACT: The asymmetric unit of the title compound, C(30)H(24)N(2)O(2), contains two independent mol-ecules, which both lie on centers of inversion. The central phenyl-ene ring is inclined at 61.4 (2)° with respect to the flanking aromatic ring [dihedral angle = 70.7 (3)° in the second mol-ecule].
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 3):o567. · 0.35 Impact Factor
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ABSTRACT: Iodine adds across both triple bonds of 4,4'-bis-(prop-2-yn--yl-oxy)biphenyl, yielding the 4,4'-bis-(2,3-diiodo-all-yloxy)biphenyl title compound, C(18)H(14)I(4)O(2); the 2,3-diiodo-ally-oxy substituents have the I atoms in an E configuration. In the biphenyl portion of the mol-ecule, the aromatic rings are inclined by 37.8 (2)°.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 3):o568. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(47)H(54)N(6)O(2), the C-C-C bond angle between the rings is 108.40 (13)°. One aryl ring aligned at 38.5 (1)° with respect to the N-heterocyclic substituent and the other at 56.0 (1)° with respect to its substituent. In the crystal, adjacent mol-ecules are linked by C-H⋯N hydrogen bonds, forming a chain extending along the a axis.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 3):o738. · 0.35 Impact Factor
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ABSTRACT: The mol-ecule of the title compound, C(19)H(14)Cl(2)O(2), has two benzene rings connected to a methyl-ene C atom, and the rings are aligned at 66.3 (1)°. Inter-molecular C-H⋯π and π-π stacking inter-actions are observed in the crystal structure, the centroid-centroid distances between parallel benzene rings being 3.7529 (12) and 3.6201 (12) Å, respectively.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):o530. · 0.35 Impact Factor
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ABSTRACT: In the title mol-ecule, C(12)H(15)NO(5), the nitro-phen-oxy portion is approximately planar (r.m.s. deviation = 0.034 Å) and makes an angle of 84.8 (1)° with respect to the -CH(2)-C(=O)-O-C fragment. In the crystal, π-π stacking is observed between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6806 (10) Å. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):o532. · 0.35 Impact Factor
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ABSTRACT: The non-H atoms of the title mol-ecule, C(6)H(4)BrNO(2), are essentially coplanar with an r.m.s. deviation of 0.040 Å. In the crystal, π-π stacking occurs between parallel benzene rings of adjacent mol-ecules with centroid-centroid distances of 3.643 (3) and 3.741 (3) Å. Weak inter-molecular C-H⋯O hydrogen bonding and short Br⋯O contacts [3.227 (4) 3.401 (4) Å] are also observed in the crystal structure. The crystal studied was a non-morohedral twin with a 26.1 (6)% minor component.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 3):o548. · 0.35 Impact Factor
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ABSTRACT: There are one-and-a-half independent mol-ecules in the asymmetric unit of the title compound, C(18)H(20)N(2)O(4). One mol-ecule is centrosymmetric with the mid-point of the N-N bond located on a center of inversion. In the other, which lies on a general position, the benzene rings are aligned at 21.6 (1)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal strcture.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):o531. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(33)H(36)O(6), two naphthalene ring systems are connected through a methyl-ene linkage [C-C-C = 114.9 (2)°]; the ring systems are aligned at an angle of 76.5 (1)°. Of the two -O-CH(2)-C(=O)-C(CH(3))(3) substituents, one adopts an extended conformation whereas the other is U-shaped. In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonding, forming supra-molecular chains running along the c axis.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):o533. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methyl-ene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the other at 48.7 (1)° with respect to its substituent. The two ordered mol-ecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two mol-ecules differ [52.7 (1) and 61.7 (1)°, and 29.1 (1) and 58.5 (1)°].
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 3):o722. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(17)H(16)O(4), is a dialdehyde in which two formyl-phen-oxy units are linked by a -CH(2)CH(2)CH(2)- chain; the mol-ecule is V-shaped with the middle methyl-ene C atom as the apex. The two benzene rings are aligned at 77.4 (1)°. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of non-classical C-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 7):o1620. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(25)H(20)N(4), is a disubstituted methane derivative having two pyridyl-methyl-ene-amino-phenyl arms, one of which is essentially rigid as all atoms lie on a plane (r.m.s. deviation = 0.074 Å), whereas the other is twisted [dihedral angle between the phenyl-ene and pyridyl rings = 51.1 (4)°]. The angle at the methyl-ene C atom is 113.2 (2)°.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 9):o2316. · 0.35 Impact Factor
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ABSTRACT: In the mol-ecule of the title compound, C(29)H(40)O(6), the carbon atom belonging to the propyl chain is connected to two aromatic rings that open up the C(ar-yl)-C-C(ar-yl) angle to 111.5 (1)°. The four-atom -O-CH(2)-C(=O)-O- linkage between the aromatic ring and the tert-butyl group assumes a (-)anti-periplanar conformation for one substituent and a (-)syn-periplanar conformation for the other substituent; the O-C-C-O torsion angles are -173.7 (2) and -10.2 (3)°.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 7):o1750. · 0.35 Impact Factor
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ABSTRACT: The complete molecule of the title compound, C(24)H(30)O(6), is generated by a crystallographic inversion centre. In the unique part of the mol-ecule, the four-atom -O-CH(2)-C(= O)-O- chain between the benzene ring and the tert-butyl group assumes a zigzag conformation [O-C-C-O torsion angle = -162.3 (1)°].
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 7):o1739. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(31)H(22)O(2), the bond angle at the C atom belonging to the five-membered ring of the fluorene system is opened to 112.64 (12)°. The two benzene rings are twisted with respect to the fluorene ring system at dihedral angles of 72.81 (6) and 81.83 (6)°. One C(ar-yl)-O-C-C fragment is extended, with a C-O-C-C torsion angle of -178.77 (13)°, but the other C(ar-yl)-O-C-C fragment is bent, with a C-O-C-C torsion angle of 64.78 (19)°. Inter-molecular weak C-H⋯O hydrogen bonding is present in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 8):o1939. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(29)H(24)Cl(2)O(2), a fluorene derivative, features a C atom that is connected to four phenyl-ene rings, two of which are almost coplanar (r.m.s. deviation = 0.035 Å) as they belong to the fluorene system. The other two rings are aligned at angles of 67.5 (5) and 85.5 (5)° with respect to the pair. The O and Cl atoms of the -OCH(2)CH(2)Cl- units adopt a gauche conformation [torsion angles = 61.6 (6) and 66.6 (5)°].
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 9):o2317. · 0.35 Impact Factor
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ABSTRACT: In the title mol-ecule, C(37)H(38)O(6), the non-fused C atom belonging to the five-membered ring of the fluorene system is connected to two p-phenyl-ene rings, the rings opening up the C(ar-yl)-C-C(ar-yl) angle to 113.1 (1)°. The four-atom -O-CH(2)-C(=O)-O- chain between the p-phenyl-ene ring and the tert-butyl group assumes a more regular W-shaped conformation for one substituent [O-C-C-C torsion angle = 171.9 (2)°] but a less regular W-shaped conformation for the other [torsion angle = 147.4 (2)°].
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 7):o1705. · 0.35 Impact Factor
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ABSTRACT: The cyclo-hexene ring in the title compound, C(29)H(33)Cl(2)NO(10)S(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.63 (1) Å from the plane through the other five ring atoms (r.m.s. deviation = 0.11 Å). The mol-ecular conformation is stabilized by an intra-molecular N-H⋯S hydrogen bond. The crystal studied was a non-merohedral twin, with a minor twin component of 29%.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 5):o1106. · 0.35 Impact Factor
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ABSTRACT: The six-membered cyclo-hexene ring in the title compound, C(17)H(19)Cl(2)NOS(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.716 (3) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.072 Å). The mol-ecular conformation is stabilized by an intra-molecular N-H⋯S hydrogen bond. The hydr-oxy group engages in inter-molecular O-H⋯O hydrogen bonding with adjacent acceptor atoms to generate a zigzag chain running along the c axis.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 3):o602. · 0.35 Impact Factor
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ABSTRACT: The six-membered cyclo-hexene ring in the title compound, C(26)H(37)Cl(2)NOS(2), adopts an envelope-shaped conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.658 (7) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.005 Å). The mol-ecular conformation is stabilized by an N-H⋯S hydrogen bond.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 3):o601. · 0.35 Impact Factor
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ABSTRACT: The six-membered cyclo-hexene ring in the title compound, C(26)H(38)BrNOS(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.651 (3) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.051 Å). The mol-ecular conformation is stabilized by an N-H⋯S hydrogen bond. The title compound is isomorphous with n-undeca-nyl 2-(4-chloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-enecarbodithio-ate.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 3):o600. · 0.35 Impact Factor
