2005
DOI: 10.1107/s1600536805031879
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3-Nitrocinnamic acid

Abstract: Key indicatorsSingle-crystal X-ray study T = 293 K Mean (C-C) = 0.003 Å R factor = 0.046 wR factor = 0.146 Data-to-parameter ratio = 11.5For details of how these key indicators were automatically derived from the article, see A view of (I), with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. organic papers Acta Cryst. (2005). E61, o3636-o3638 Udaya lakshmi et al. C 9 H 7 NO 4 o3637

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Cited by 8 publications
(8 citation statements)
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“…This type of association is found in only a small number of carboxylic acids where, among the mono-and dicarboxylic acids without other functional groups, occurrence of the cyclic R 2 2 (8) motif has a probability of 95.5% (Allen et al, 1998). This includes other known photodimerizableexamples (Glusker et al, 1975;Nakanishi et al, 1985;Udaya Lakshmi et al, 2005). The stacking of the molecules in the chains in (I) provides head-to-head interaction down the short a-axial direction, which is consistent with the requirement for -photodimerization.…”
Section: Commentsupporting
confidence: 70%
See 1 more Smart Citation
“…This type of association is found in only a small number of carboxylic acids where, among the mono-and dicarboxylic acids without other functional groups, occurrence of the cyclic R 2 2 (8) motif has a probability of 95.5% (Allen et al, 1998). This includes other known photodimerizableexamples (Glusker et al, 1975;Nakanishi et al, 1985;Udaya Lakshmi et al, 2005). The stacking of the molecules in the chains in (I) provides head-to-head interaction down the short a-axial direction, which is consistent with the requirement for -photodimerization.…”
Section: Commentsupporting
confidence: 70%
“…Understandably, very few crystal structures of these acids, including (I), have been previously reported. Examples of -acid structures include 4-chlorotrans-cinnamic acid (Glusker et al, 1975), 4-formyl-transcinnamic acid (Nakanishi et al, 1985) and 3-nitro-transcinnamic acid (Udaya Lakshmi et al, 2005).…”
Section: Commentmentioning
confidence: 99%
“…In (I) ( We found that the architecture of compound (I) is similar to bis (melaminium) L-tartrate 2.5-hydrate (Udaya Lakshmi et al, 2006) but not the same, which indicate that using different stereo-chemical configurations can give different threedimensional arrangements. In addition, π-π contacts [centroid-centroid distance 3.6541 (9) Å] between the six-membered rings of the melamine moieties are observed.…”
Section: Data Collectionmentioning
confidence: 93%
“…Crystals of 3-nitrocinnamic acid (3NCA) belong to the monoclinic system with a = 3.7756 (2) Å, b = 9.4584 (13) Å, c = 24.295 (4) Å, the space group is P2 1/n . 19 In the crystal, the…”
Section: Crystal Structurementioning
confidence: 99%